(1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane

C101H125F3N8 — CID 160931506

IUPAC(1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane
SMILESC.C.C.C.CN[C@@H](c1cccc(C)c1)[C@@H](NC)c1cccc(C(F)(F)F)c1.Cc1ccc([C@H](NC(C)C)[C@@H](NC(C)C)c2ccc(C)cc2)cc1.c1ccc(CN2CN(Cc3ccccc3)[C@@H](c3ccccc3)C2c2ccccc2)cc1.c1ccc(CN[C@@H](c2ccccc2)[C@@H](NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2.C28H28N2.C22H32N2.C18H21F3N2.4CH4/c1-5-13-24(14-6-1)21-30-23-31(22-25-15-7-2-8-16-25)29(27-19-11-4-12-20-27)28(30)26-17-9-3-10-18-26;1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24;1-15(2)23-21(19-11-7-17(5)8-12-19)22(24-16(3)4)20-13-9-18(6)10-14-20;1-12-6-4-7-13(10-12)16(22-2)17(23-3)14-8-5-9-15(11-14)18(19,20)21;;;;/h1-20,28-29H,21-23H2;1-20,27-30H,21-22H2;7-16,21-24H,1-6H3;4-11,16-17,22-23H,1-3H3;4*1H4/t28-,29?;27-,28-;21-,22-;16-,17-;;;;/m0000..../s1
InChIKeySTIGCNNJKNKBTF-GMPBLOAESA-N
MW1508.16 g/mol
LogP24.35
Rot. Bonds27

About (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane

(1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane (PubChem CID 160931506) has the molecular formula C101H125F3N8 and a molecular weight of 1508.16 g/mol. Its IUPAC name is (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane.

Molecular Properties

Compound Name(1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane
PubChem CID160931506
Molecular FormulaC101H125F3N8
Molecular Weight1508.16 g/mol
Exact Mass1507.00
IUPAC Name(1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane
SMILESC.C.C.C.CN[C@@H](c1cccc(C)c1)[C@@H](NC)c1cccc(C(F)(F)F)c1.Cc1ccc([C@H](NC(C)C)[C@@H](NC(C)C)c2ccc(C)cc2)cc1.c1ccc(CN2CN(Cc3ccccc3)[C@@H](c3ccccc3)C2c2ccccc2)cc1.c1ccc(CN[C@@H](c2ccccc2)[C@@H](NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H28N2.C28H28N2.C22H32N2.C18H21F3N2.4CH4/c1-5-13-24(14-6-1)21-30-23-31(22-25-15-7-2-8-16-25)29(27-19-11-4-12-20-27)28(30)26-17-9-3-10-18-26;1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24;1-15(2)23-21(19-11-7-17(5)8-12-19)22(24-16(3)4)20-13-9-18(6)10-14-20;1-12-6-4-7-13(10-12)16(22-2)17(23-3)14-8-5-9-15(11-14)18(19,20)21;;;;/h1-20,28-29H,21-23H2;1-20,27-30H,21-22H2;7-16,21-24H,1-6H3;4-11,16-17,22-23H,1-3H3;4*1H4/t28-,29?;27-,28-;21-,22-;16-,17-;;;;/m0000..../s1
InChIKeySTIGCNNJKNKBTF-GMPBLOAESA-N
XLogP24.35
TPSA78.66 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001508.16
LogP ≤ 524.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane?
The IUPAC name of (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane (CID 160931506) is (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane.
What is the SMILES notation for (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane?
The canonical SMILES for (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane is C.C.C.C.CN[C@@H](c1cccc(C)c1)[C@@H](NC)c1cccc(C(F)(F)F)c1.Cc1ccc([C@H](NC(C)C)[C@@H](NC(C)C)c2ccc(C)cc2)cc1.c1ccc(CN2CN(Cc3ccccc3)[C@@H](c3ccccc3)C2c2ccccc2)cc1.c1ccc(CN[C@@H](c2ccccc2)[C@@H](NCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane?
The InChIKey is STIGCNNJKNKBTF-GMPBLOAESA-N. The full InChI is InChI=1S/C29H28N2.C28H28N2.C22H32N2.C18H21F3N2.4CH4/c1-5-13-24(14-6-1)21-30-23-31(22-25-15-7-2-8-16-25)29(27-19-11-4-12-20-27)28(30)26-17-9-3-10-18-26;1-5-13-23(14-6-1)21-29-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)30-22-24-15-7-2-8-16-24;1-15(2)23-21(19-11-7-17(5)8-12-19)22(24-16(3)4)20-13-9-18(6)10-14-20;1-12-6-4-7-13(10-12)16(22-2)17(23-3)14-8-5-9-15(11-14)18(19,20)21;;;;/h1-20,28-29H,21-23H2;1-20,27-30H,21-22H2;7-16,21-24H,1-6H3;4-11,16-17,22-23H,1-3H3;4*1H4/t28-,29?;27-,28-;21-,22-;16-,17-;;;;/m0000..../s1.
What are the key properties of (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane?
(1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane has a molecular weight of 1508.16 g/mol, XLogP of 24.35, 27 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis(4-methylphenyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine;(1S,2S)-N,N'-dibenzyl-1,2-diphenylethane-1,2-diamine;(4S)-1,3-dibenzyl-4,5-diphenylimidazolidine;(1S,2S)-N,N'-dimethyl-1-(3-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine;methane is sourced from PubChem (CID 160931506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).