(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine

C28H28N2 — CID 134874635

IUPAC(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine
SMILESCc1ccccc1N[C@@H](c1ccccc1)[C@@H](Nc1ccccc1C)c1ccccc1
InChIInChI=1S/C28H28N2/c1-21-13-9-11-19-25(21)29-27(23-15-5-3-6-16-23)28(24-17-7-4-8-18-24)30-26-20-12-10-14-22(26)2/h3-20,27-30H,1-2H3/t27-,28-/m0/s1
InChIKeyOBPLTUDEICPZDH-NSOVKSMOSA-N
MW392.55 g/mol
LogP7.31
Rot. Bonds7

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

(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine (PubChem CID 134874635) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is (1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine
PubChem CID134874635
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine
SMILESCc1ccccc1N[C@@H](c1ccccc1)[C@@H](Nc1ccccc1C)c1ccccc1
InChIInChI=1S/C28H28N2/c1-21-13-9-11-19-25(21)29-27(23-15-5-3-6-16-23)28(24-17-7-4-8-18-24)30-26-20-12-10-14-22(26)2/h3-20,27-30H,1-2H3/t27-,28-/m0/s1
InChIKeyOBPLTUDEICPZDH-NSOVKSMOSA-N
XLogP7.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
CID 79042084
3-methyl-4-[(2-methyl-1-phenylpropyl)amino]benzoic acid
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methyl 2-[(R)-(2-methylanilino)-phenylmethyl]prop-2-enoate
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N-but-3-en-2-yl-2-methylaniline
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2-methyl-N-(4-methylpentan-2-yl)aniline
CID 43196655
(1R,2R)-N,N'-bis[4-[3,5-bis(2,6-dimethylphenyl)phenyl]phenyl]-1,2-diphenylethane-1,2-diamine
CID 101435249
2-methyl-N-(3-methyl-2-phenylbutyl)aniline
CID 107875833
N,2-dimethylaniline
CID 163768915
2-methyl-N-(5-methylhexan-2-yl)aniline
CID 43095435

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine?
The IUPAC name of (1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine (CID 134874635) is (1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for (1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for (1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine is Cc1ccccc1N[C@@H](c1ccccc1)[C@@H](Nc1ccccc1C)c1ccccc1.
What is the InChIKey of (1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine?
The InChIKey is OBPLTUDEICPZDH-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H28N2/c1-21-13-9-11-19-25(21)29-27(23-15-5-3-6-16-23)28(24-17-7-4-8-18-24)30-26-20-12-10-14-22(26)2/h3-20,27-30H,1-2H3/t27-,28-/m0/s1.
What are the key properties of (1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine?
(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine has a molecular weight of 392.55 g/mol, XLogP of 7.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 134874635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).