(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine

C17H22N2 — CID 11448338

IUPAC(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
SMILESCN[C@@H](c1ccccc1)[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C17H22N2/c1-18-16(14-10-6-4-7-11-14)17(19(2)3)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3/t16-,17-/m0/s1
InChIKeyGJUJCWHBPKCRID-IRXDYDNUSA-N
MW254.38 g/mol
LogP3.25
Rot. Bonds5

About (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine

(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine (PubChem CID 11448338) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
PubChem CID11448338
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
SMILESCN[C@@H](c1ccccc1)[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C17H22N2/c1-18-16(14-10-6-4-7-11-14)17(19(2)3)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3/t16-,17-/m0/s1
InChIKeyGJUJCWHBPKCRID-IRXDYDNUSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(dimethylamino)-1,2-diphenylethyl]-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine
CID 67414377
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
1-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-1,2-diphenylethyl]methanesulfonamide
CID 70841755
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
3,3,3-trifluoro-N-methyl-1,2-diphenylpropan-1-amine
CID 69396432
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 112665001
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine?
The IUPAC name of (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine (CID 11448338) is (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine is CN[C@@H](c1ccccc1)[C@H](c1ccccc1)N(C)C.
What is the InChIKey of (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine?
The InChIKey is GJUJCWHBPKCRID-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H22N2/c1-18-16(14-10-6-4-7-11-14)17(19(2)3)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3/t16-,17-/m0/s1.
What are the key properties of (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine?
(1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N,N,N'-trimethyl-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 11448338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).