4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine

C16H20N2O — CID 117041341

IUPAC4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
SMILESCOc1cccc(CCN(C)c2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O/c1-18(15-8-6-14(17)7-9-15)11-10-13-4-3-5-16(12-13)19-2/h3-9,12H,10-11,17H2,1-2H3
InChIKeyZYHFPXHGYSEQQH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds5

About 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine

4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine (PubChem CID 117041341) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
PubChem CID117041341
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine
SMILESCOc1cccc(CCN(C)c2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O/c1-18(15-8-6-14(17)7-9-15)11-10-13-4-3-5-16(12-13)19-2/h3-9,12H,10-11,17H2,1-2H3
InChIKeyZYHFPXHGYSEQQH-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-methyl-4-N-[2-(3-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041336
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
2-(4-amino-N-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 28894649
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
4-N-methyl-4-N-[2-(4-methylphenyl)ethyl]benzene-1,4-diamine
CID 117041307
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149922
2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262
1-methoxy-3-propylbenzene
CID 14270128
2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
magnesium;1-methoxy-3-propylbenzene;bromide
CID 14861069

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine (CID 117041341) is 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine is COc1cccc(CCN(C)c2ccc(N)cc2)c1.
What is the InChIKey of 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
The InChIKey is ZYHFPXHGYSEQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(15-8-6-14(17)7-9-15)11-10-13-4-3-5-16(12-13)19-2/h3-9,12H,10-11,17H2,1-2H3.
What are the key properties of 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine?
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 117041341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).