N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine

C16H20N2O2 — CID 54806144

IUPACN'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCNc2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c1-19-14-8-9-16(20-2)15(12-14)18-11-10-17-13-6-4-3-5-7-13/h3-9,12,17-18H,10-11H2,1-2H3
InChIKeyYOHLCWGFFRVEAC-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.23
Rot. Bonds7

About N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine

N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine (PubChem CID 54806144) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
PubChem CID54806144
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCNc2ccccc2)c1
InChIInChI=1S/C16H20N2O2/c1-19-14-8-9-16(20-2)15(12-14)18-11-10-17-13-6-4-3-5-7-13/h3-9,12,17-18H,10-11H2,1-2H3
InChIKeyYOHLCWGFFRVEAC-UHFFFAOYSA-N
XLogP3.23
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54806452
N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807830
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807795
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
N-(3-chloro-2-methylphenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807475
2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 103033084
1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62373660
2,5-dimethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471918
N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
5-(2,5-dimethoxyanilino)pentanenitrile
CID 60680727

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine?
The IUPAC name of N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine (CID 54806144) is N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine is COc1ccc(OC)c(NCCNc2ccccc2)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine?
The InChIKey is YOHLCWGFFRVEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-14-8-9-16(20-2)15(12-14)18-11-10-17-13-6-4-3-5-7-13/h3-9,12,17-18H,10-11H2,1-2H3.
What are the key properties of N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine?
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 54806144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).