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

C16H20N2O — CID 66197182

IUPAC1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
SMILESCOc1ccc(C(C)Nc2ccc(C)cc2N)cc1
InChIInChI=1S/C16H20N2O/c1-11-4-9-16(15(17)10-11)18-12(2)13-5-7-14(19-3)8-6-13/h4-10,12,18H,17H2,1-3H3
InChIKeyZFEGNLRQQFJHCT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.76
Rot. Bonds4

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

1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine (PubChem CID 66197182) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
PubChem CID66197182
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
SMILESCOc1ccc(C(C)Nc2ccc(C)cc2N)cc1
InChIInChI=1S/C16H20N2O/c1-11-4-9-16(15(17)10-11)18-12(2)13-5-7-14(19-3)8-6-13/h4-10,12,18H,17H2,1-3H3
InChIKeyZFEGNLRQQFJHCT-UHFFFAOYSA-N
XLogP3.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-methoxyphenyl)ethylamino]-5-methylbenzonitrile
CID 107927606
3-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 66195446
4-bromo-N-[1-(4-methoxyphenyl)ethyl]-2-methylaniline
CID 43192054
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
CID 91826509
3-[1-(4-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741848
3-N-[1-(4-methoxyphenyl)ethyl]-2-nitrobenzene-1,3-diamine
CID 80833387
4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43192619
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
CID 107582000
4-fluoro-5-methyl-1-N-[1-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 103590140
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine (CID 66197182) is 1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine is COc1ccc(C(C)Nc2ccc(C)cc2N)cc1.
What is the InChIKey of 1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine?
The InChIKey is ZFEGNLRQQFJHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-4-9-16(15(17)10-11)18-12(2)13-5-7-14(19-3)8-6-13/h4-10,12,18H,17H2,1-3H3.
What are the key properties of 1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine?
1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 66197182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).