1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine

C17H15ClN2 — CID 176551649

IUPAC1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine
SMILESNc1cccc2cccc(NCc3ccc(Cl)cc3)c12
InChIInChI=1S/C17H15ClN2/c18-14-9-7-12(8-10-14)11-20-16-6-2-4-13-3-1-5-15(19)17(13)16/h1-10,20H,11,19H2
InChIKeyOGEXIAHGRRVZCO-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.69
Rot. Bonds3

About 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine

1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine (PubChem CID 176551649) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine
PubChem CID176551649
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine
SMILESNc1cccc2cccc(NCc3ccc(Cl)cc3)c12
InChIInChI=1S/C17H15ClN2/c18-14-9-7-12(8-10-14)11-20-16-6-2-4-13-3-1-5-15(19)17(13)16/h1-10,20H,11,19H2
InChIKeyOGEXIAHGRRVZCO-UHFFFAOYSA-N
XLogP4.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 15680100
4-bromo-2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 65343289
3-[(8-aminonaphthalen-1-yl)amino]propanenitrile
CID 71364155
[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
CID 55146226
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
2-N-[(4-chlorophenyl)methyl]-4,5-dimethoxybenzene-1,2-diamine
CID 83001192
N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
CID 81144303
3-amino-4-[(4-chlorophenyl)methylamino]benzonitrile
CID 43517989
3-chloro-1-N-[(3-chlorophenyl)methyl]benzene-1,2-diamine
CID 113458621
1-N-[(4-bromophenyl)methyl]-4-chlorobenzene-1,2-diamine
CID 14953000

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine (CID 176551649) is 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine is Nc1cccc2cccc(NCc3ccc(Cl)cc3)c12.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine?
The InChIKey is OGEXIAHGRRVZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c18-14-9-7-12(8-10-14)11-20-16-6-2-4-13-3-1-5-15(19)17(13)16/h1-10,20H,11,19H2.
What are the key properties of 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine?
1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine has a molecular weight of 282.77 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]naphthalene-1,8-diamine is sourced from PubChem (CID 176551649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).