(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine

C36H36N2 — CID 30741988

IUPAC(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine
SMILESc1ccc(CN(Cc2ccccc2)C[C@@H](c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C36H36N2/c1-6-16-31(17-7-1)26-37(27-32-18-8-2-9-19-32)30-36(35-24-14-5-15-25-35)38(28-33-20-10-3-11-21-33)29-34-22-12-4-13-23-34/h1-25,36H,26-30H2/t36-/m0/s1
InChIKeyPHJGOLIKGIHSTK-BHVANESWSA-N
MW496.70 g/mol
LogP8.13
Rot. Bonds12

About (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine

(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine (PubChem CID 30741988) has the molecular formula C36H36N2 and a molecular weight of 496.70 g/mol. Its IUPAC name is (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine
PubChem CID30741988
Molecular FormulaC36H36N2
Molecular Weight496.70 g/mol
Exact Mass496.29
IUPAC Name(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine
SMILESc1ccc(CN(Cc2ccccc2)C[C@@H](c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C36H36N2/c1-6-16-31(17-7-1)26-37(27-32-18-8-2-9-19-32)30-36(35-24-14-5-15-25-35)38(28-33-20-10-3-11-21-33)29-34-22-12-4-13-23-34/h1-25,36H,26-30H2/t36-/m0/s1
InChIKeyPHJGOLIKGIHSTK-BHVANESWSA-N
XLogP8.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N,N-dibenzyl-2-chloro-2-phenylethanamine
CID 92858642
2-(dibenzylamino)-1-phenylethanethiol
CID 134972021
(2R)-N,N-dibenzyl-2-fluoro-3-phenylpropan-1-amine
CID 122216645
2-[[2-[bis(carboxymethyl)amino]-2-phenylethyl]-(carboxymethyl)amino]acetic acid
CID 14550244
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N,N-dibenzyl-1,1-bis(phosphanyl)methanamine
CID 123812611
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
3-(4-chlorophenyl)-3-(dibenzylamino)propanenitrile
CID 11187551
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
(2R)-2-[amino(benzyl)amino]-2-phenylethanol
CID 15856855
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine?
The IUPAC name of (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine (CID 30741988) is (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine?
The canonical SMILES for (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine is c1ccc(CN(Cc2ccccc2)C[C@@H](c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine?
The InChIKey is PHJGOLIKGIHSTK-BHVANESWSA-N. The full InChI is InChI=1S/C36H36N2/c1-6-16-31(17-7-1)26-37(27-32-18-8-2-9-19-32)30-36(35-24-14-5-15-25-35)38(28-33-20-10-3-11-21-33)29-34-22-12-4-13-23-34/h1-25,36H,26-30H2/t36-/m0/s1.
What are the key properties of (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine?
(1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine has a molecular weight of 496.70 g/mol, XLogP of 8.13, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N,N',N'-tetrabenzyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 30741988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).