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

C16H20N2O — CID 43343022

IUPAC1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine
SMILESCOc1ccc(CCNc2ccc(N)cc2C)cc1
InChIInChI=1S/C16H20N2O/c1-12-11-14(17)5-8-16(12)18-10-9-13-3-6-15(19-2)7-4-13/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyWLGRBWPMXWYUFN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.24
Rot. Bonds5

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

1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine (PubChem CID 43343022) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine
PubChem CID43343022
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine
SMILESCOc1ccc(CCNc2ccc(N)cc2C)cc1
InChIInChI=1S/C16H20N2O/c1-12-11-14(17)5-8-16(12)18-10-9-13-3-6-15(19-2)7-4-13/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyWLGRBWPMXWYUFN-UHFFFAOYSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.24
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

N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 143202760
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
3-[2-(4-methoxyphenyl)ethylsulfanyl]-4-methylaniline
CID 79140599
1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
CID 58596116
2-(4-amino-2-methylanilino)ethanol;hydrate
CID 70505046
1-N-[2-(furan-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 61469783
4-N-(4-chloro-2-methylphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874314
2-N-(2,4-dimethylphenyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921312
4-N-(2,4-dimethylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921398
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
5-amino-2-[2-(3-methoxyphenyl)ethylamino]benzonitrile
CID 107845117

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine (CID 43343022) is 1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine is COc1ccc(CCNc2ccc(N)cc2C)cc1.
What is the InChIKey of 1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine?
The InChIKey is WLGRBWPMXWYUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-11-14(17)5-8-16(12)18-10-9-13-3-6-15(19-2)7-4-13/h3-8,11,18H,9-10,17H2,1-2H3.
What are the key properties of 1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine?
1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-methoxyphenyl)ethyl]-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 43343022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).