N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine

C103H107F3N4O2 — CID 161499010

IUPACN,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine
SMILESC(=C(c1ccccc1)c1ccccc1)N(CC1CCCO1)CC1CCCO1.CC(C)C/C(=C\N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.Cc1ccc(C(=CN(Cc2ccccc2)Cc2ccccc2)c2ccc(C)cc2)cc1.FC(F)(F)/C(=C\N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N.C26H29N.C24H29NO2.C23H20F3N/c1-24-13-17-28(18-14-24)30(29-19-15-25(2)16-20-29)23-31(21-26-9-5-3-6-10-26)22-27-11-7-4-8-12-27;1-22(2)18-26(25-16-10-5-11-17-25)21-27(19-23-12-6-3-7-13-23)20-24-14-8-4-9-15-24;1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-25(17-22-13-7-15-26-22)18-23-14-8-16-27-23;24-23(25,26)22(21-14-8-3-9-15-21)18-27(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h3-20,23H,21-22H2,1-2H3;3-17,21-22H,18-20H2,1-2H3;1-6,9-12,19,22-23H,7-8,13-18H2;1-15,18H,16-17H2/b;26-21+;;22-18-
InChIKeyWGOZXGMZQNXNME-VOUVNNSWSA-N
MW1490.01 g/mol
LogP25.20
Rot. Bonds28

About N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine

N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine (PubChem CID 161499010) has the molecular formula C103H107F3N4O2 and a molecular weight of 1490.01 g/mol. Its IUPAC name is N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine.

Molecular Properties

Compound NameN,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine
PubChem CID161499010
Molecular FormulaC103H107F3N4O2
Molecular Weight1490.01 g/mol
Exact Mass1488.83
IUPAC NameN,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine
SMILESC(=C(c1ccccc1)c1ccccc1)N(CC1CCCO1)CC1CCCO1.CC(C)C/C(=C\N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.Cc1ccc(C(=CN(Cc2ccccc2)Cc2ccccc2)c2ccc(C)cc2)cc1.FC(F)(F)/C(=C\N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N.C26H29N.C24H29NO2.C23H20F3N/c1-24-13-17-28(18-14-24)30(29-19-15-25(2)16-20-29)23-31(21-26-9-5-3-6-10-26)22-27-11-7-4-8-12-27;1-22(2)18-26(25-16-10-5-11-17-25)21-27(19-23-12-6-3-7-13-23)20-24-14-8-4-9-15-24;1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-25(17-22-13-7-15-26-22)18-23-14-8-16-27-23;24-23(25,26)22(21-14-8-3-9-15-21)18-27(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h3-20,23H,21-22H2,1-2H3;3-17,21-22H,18-20H2,1-2H3;1-6,9-12,19,22-23H,7-8,13-18H2;1-15,18H,16-17H2/b;26-21+;;22-18-
InChIKeyWGOZXGMZQNXNME-VOUVNNSWSA-N
XLogP25.20
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001490.01
LogP ≤ 525.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

Analyze N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine?
The IUPAC name of N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine (CID 161499010) is N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine.
What is the SMILES notation for N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine?
The canonical SMILES for N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine is C(=C(c1ccccc1)c1ccccc1)N(CC1CCCO1)CC1CCCO1.CC(C)C/C(=C\N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.Cc1ccc(C(=CN(Cc2ccccc2)Cc2ccccc2)c2ccc(C)cc2)cc1.FC(F)(F)/C(=C\N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine?
The InChIKey is WGOZXGMZQNXNME-VOUVNNSWSA-N. The full InChI is InChI=1S/C30H29N.C26H29N.C24H29NO2.C23H20F3N/c1-24-13-17-28(18-14-24)30(29-19-15-25(2)16-20-29)23-31(21-26-9-5-3-6-10-26)22-27-11-7-4-8-12-27;1-22(2)18-26(25-16-10-5-11-17-25)21-27(19-23-12-6-3-7-13-23)20-24-14-8-4-9-15-24;1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-25(17-22-13-7-15-26-22)18-23-14-8-16-27-23;24-23(25,26)22(21-14-8-3-9-15-21)18-27(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h3-20,23H,21-22H2,1-2H3;3-17,21-22H,18-20H2,1-2H3;1-6,9-12,19,22-23H,7-8,13-18H2;1-15,18H,16-17H2/b;26-21+;;22-18-.
What are the key properties of N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine?
N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine has a molecular weight of 1490.01 g/mol, XLogP of 25.20, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(oxolan-2-ylmethyl)-2,2-diphenylethenamine;N,N-dibenzyl-2,2-bis(4-methylphenyl)ethenamine;(E)-N,N-dibenzyl-4-methyl-2-phenylpent-1-en-1-amine;(Z)-N,N-dibenzyl-3,3,3-trifluoro-2-phenylprop-1-en-1-amine is sourced from PubChem (CID 161499010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).