1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride

C15H19ClN2O — CID 91826509

IUPAC1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
SMILESCOc1ccc(CNc2ccc(C)cc2N)cc1.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-11-3-8-15(14(16)9-11)17-10-12-4-6-13(18-2)7-5-12;/h3-9,17H,10,16H2,1-2H3;1H
InChIKeyBBJOTJUVSXQGPN-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.62
Rot. Bonds4

About 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride

1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride (PubChem CID 91826509) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
PubChem CID91826509
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
SMILESCOc1ccc(CNc2ccc(C)cc2N)cc1.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-11-3-8-15(14(16)9-11)17-10-12-4-6-13(18-2)7-5-12;/h3-9,17H,10,16H2,1-2H3;1H
InChIKeyBBJOTJUVSXQGPN-UHFFFAOYSA-N
XLogP3.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.62
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

4-bromo-1-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 28903349
2-N-[(4-methoxyphenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126731
1-N-[(3-bromo-4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115125046
2-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylaniline
CID 28968417
2-[(4-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107926880
1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]-2-hydroxyethanone
CID 70645632
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
CID 115212369
N-[(4-methoxyphenyl)methyl]-6-methylquinolin-4-amine
CID 133466915

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride?
The IUPAC name of 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride (CID 91826509) is 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride?
The canonical SMILES for 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride is COc1ccc(CNc2ccc(C)cc2N)cc1.Cl.
What is the InChIKey of 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride?
The InChIKey is BBJOTJUVSXQGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.ClH/c1-11-3-8-15(14(16)9-11)17-10-12-4-6-13(18-2)7-5-12;/h3-9,17H,10,16H2,1-2H3;1H.
What are the key properties of 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride?
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride is sourced from PubChem (CID 91826509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).