N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine

C23H26N2O2 — CID 67729247

IUPACN'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine
SMILESCOc1ccc(CNCC(N)(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H26N2O2/c1-26-21-14-13-18(22(15-21)27-2)16-25-17-23(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,25H,16-17,24H2,1-2H3
InChIKeyHHSZQUZGGBBMSB-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.70
Rot. Bonds8

About N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine

N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine (PubChem CID 67729247) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine
PubChem CID67729247
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine
SMILESCOc1ccc(CNCC(N)(c2ccccc2)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H26N2O2/c1-26-21-14-13-18(22(15-21)27-2)16-25-17-23(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,25H,16-17,24H2,1-2H3
InChIKeyHHSZQUZGGBBMSB-UHFFFAOYSA-N
XLogP3.70
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
CID 120587952
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664588
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 142662303
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine?
The IUPAC name of N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine (CID 67729247) is N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine.
What is the SMILES notation for N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine?
The canonical SMILES for N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine is COc1ccc(CNCC(N)(c2ccccc2)c2ccccc2)c(OC)c1.
What is the InChIKey of N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine?
The InChIKey is HHSZQUZGGBBMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-26-21-14-13-18(22(15-21)27-2)16-25-17-23(24,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,25H,16-17,24H2,1-2H3.
What are the key properties of N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine?
N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine has a molecular weight of 362.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine is sourced from PubChem (CID 67729247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).