N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine

C15H18N2O — CID 65376277

IUPACN-(3-methoxyphenyl)-1-phenylethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-18-14-9-5-8-13(10-14)17-15(11-16)12-6-3-2-4-7-12/h2-10,15,17H,11,16H2,1H3
InChIKeyQTSOFJYLPQGFMK-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.81
Rot. Bonds5

About N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine

N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine (PubChem CID 65376277) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1-phenylethane-1,2-diamine
PubChem CID65376277
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(3-methoxyphenyl)-1-phenylethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-18-14-9-5-8-13(10-14)17-15(11-16)12-6-3-2-4-7-12/h2-10,15,17H,11,16H2,1H3
InChIKeyQTSOFJYLPQGFMK-UHFFFAOYSA-N
XLogP2.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine (CID 65376277) is N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine is COc1cccc(NC(CN)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine?
The InChIKey is QTSOFJYLPQGFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-14-9-5-8-13(10-14)17-15(11-16)12-6-3-2-4-7-12/h2-10,15,17H,11,16H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine?
N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine has a molecular weight of 242.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 65376277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).