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

C15H18N2O — CID 54806261

IUPACN'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
SMILESCOc1cccc(NCCNc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-18-15-9-5-8-14(12-15)17-11-10-16-13-6-3-2-4-7-13/h2-9,12,16-17H,10-11H2,1H3
InChIKeyOZNANPSIHOYXKS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.22
Rot. Bonds6

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

N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine (PubChem CID 54806261) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
PubChem CID54806261
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
SMILESCOc1cccc(NCCNc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-18-15-9-5-8-14(12-15)17-11-10-16-13-6-3-2-4-7-13/h2-9,12,16-17H,10-11H2,1H3
InChIKeyOZNANPSIHOYXKS-UHFFFAOYSA-N
XLogP3.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.22
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-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806868
N'-(3,4-dichlorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54805981
N-hexyl-3-methoxyaniline
CID 15500485
N'-(3-chloro-4-methylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 54807166
ethane;N-ethyl-3-methoxyaniline
CID 142222302
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
3-methoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096032
N-(4-hexoxyphenyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 54806834
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
3-(3-methoxyanilino)propanamide
CID 43131962
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine (CID 54806261) is N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine is COc1cccc(NCCNc2ccccc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine?
The InChIKey is OZNANPSIHOYXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-15-9-5-8-14(12-15)17-11-10-16-13-6-3-2-4-7-13/h2-9,12,16-17H,10-11H2,1H3.
What are the key properties of N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine?
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine has a molecular weight of 242.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 54806261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).