N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine

C17H22N2O — CID 54806868

IUPACN'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-20-17-9-5-8-16(14-17)19-13-12-18-11-10-15-6-3-2-4-7-15/h2-9,14,18-19H,10-13H2,1H3
InChIKeyZOABCJCSNDONAB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.94
Rot. Bonds8

About N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine

N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 54806868) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
PubChem CID54806868
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
SMILESCOc1cccc(NCCNCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-20-17-9-5-8-16(14-17)19-13-12-18-11-10-15-6-3-2-4-7-15/h2-9,14,18-19H,10-13H2,1H3
InChIKeyZOABCJCSNDONAB-UHFFFAOYSA-N
XLogP2.94
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N'-(3-hexoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54807388
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
3,5-dimethoxy-N-(4-phenylbutyl)aniline
CID 114333116
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
N-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxyaniline
CID 54802782
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine (CID 54806868) is N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine is COc1cccc(NCCNCCc2ccccc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is ZOABCJCSNDONAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-17-9-5-8-16(14-17)19-13-12-18-11-10-15-6-3-2-4-7-15/h2-9,14,18-19H,10-13H2,1H3.
What are the key properties of N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine?
N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 54806868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).