N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine

C24H28N2O — CID 67729251

IUPACN'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCOc1ccccc1CNCC(NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-19(20-11-5-3-6-12-20)26-23(21-13-7-4-8-14-21)18-25-17-22-15-9-10-16-24(22)27-2/h3-16,19,23,25-26H,17-18H2,1-2H3
InChIKeyPTVPKMBOQBPGSN-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.88
Rot. Bonds9

About N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine

N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine (PubChem CID 67729251) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
PubChem CID67729251
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCOc1ccccc1CNCC(NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-19(20-11-5-3-6-12-20)26-23(21-13-7-4-8-14-21)18-25-17-22-15-9-10-16-24(22)27-2/h3-16,19,23,25-26H,17-18H2,1-2H3
InChIKeyPTVPKMBOQBPGSN-UHFFFAOYSA-N
XLogP4.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine
CID 67641775
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
2-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254514
N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 67643101
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 10802793
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
1-[(2-methoxyphenyl)methylamino]propan-2-yl 2-methylpropanoate
CID 82533086

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine (CID 67729251) is N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine is COc1ccccc1CNCC(NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is PTVPKMBOQBPGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-19(20-11-5-3-6-12-20)26-23(21-13-7-4-8-14-21)18-25-17-22-15-9-10-16-24(22)27-2/h3-16,19,23,25-26H,17-18H2,1-2H3.
What are the key properties of N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine?
N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 360.50 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-1-phenyl-N-(1-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 67729251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).