4-methyl-3-phenylnaphthalen-1-amine;hydrochloride

C17H16ClN — CID 20977117

IUPAC4-methyl-3-phenylnaphthalen-1-amine;hydrochloride
SMILESCc1c(-c2ccccc2)cc(N)c2ccccc12.Cl
InChIInChI=1S/C17H15N.ClH/c1-12-14-9-5-6-10-15(14)17(18)11-16(12)13-7-3-2-4-8-13;/h2-11H,18H2,1H3;1H
InChIKeyJMCMNJLPOMXMRG-UHFFFAOYSA-N
MW269.78 g/mol
LogP4.82
Rot. Bonds1

About 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride

4-methyl-3-phenylnaphthalen-1-amine;hydrochloride (PubChem CID 20977117) has the molecular formula C17H16ClN and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-3-phenylnaphthalen-1-amine;hydrochloride
PubChem CID20977117
Molecular FormulaC17H16ClN
Molecular Weight269.78 g/mol
Exact Mass269.10
IUPAC Name4-methyl-3-phenylnaphthalen-1-amine;hydrochloride
SMILESCc1c(-c2ccccc2)cc(N)c2ccccc12.Cl
InChIInChI=1S/C17H15N.ClH/c1-12-14-9-5-6-10-15(14)17(18)11-16(12)13-7-3-2-4-8-13;/h2-11H,18H2,1H3;1H
InChIKeyJMCMNJLPOMXMRG-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-phenylbenzene-1,3-diamine
CID 19849980
2,3-dimethyl-4,6-diphenylaniline
CID 139240980
2-methyl-3-phenylaniline
CID 10511683
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
2-phenylaniline;hydrochloride
CID 5284347
6-amino-2-methyl-3-phenylphenol
CID 175328726
1,2-dimethyl-5-phenylnaphthalene
CID 171799128
(2,3,4-trimethyl-5-phenylphenyl)methanol
CID 87491208
2,9-dimethyl-10-phenylanthracene
CID 58435289
2-(4-methyl-2,6-diphenylphenyl)aniline
CID 102107876

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride?
The IUPAC name of 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride (CID 20977117) is 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride.
What is the SMILES notation for 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride?
The canonical SMILES for 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride is Cc1c(-c2ccccc2)cc(N)c2ccccc12.Cl.
What is the InChIKey of 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride?
The InChIKey is JMCMNJLPOMXMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N.ClH/c1-12-14-9-5-6-10-15(14)17(18)11-16(12)13-7-3-2-4-8-13;/h2-11H,18H2,1H3;1H.
What are the key properties of 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride?
4-methyl-3-phenylnaphthalen-1-amine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenylnaphthalen-1-amine;hydrochloride is sourced from PubChem (CID 20977117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).