6-(3-chlorophenyl)naphthalen-2-amine

C16H12ClN — CID 172868696

IUPAC6-(3-chlorophenyl)naphthalen-2-amine
SMILESNc1ccc2cc(-c3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C16H12ClN/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10H,18H2
InChIKeyJXURDZYAYARARE-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.74
Rot. Bonds1

About 6-(3-chlorophenyl)naphthalen-2-amine

6-(3-chlorophenyl)naphthalen-2-amine (PubChem CID 172868696) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is 6-(3-chlorophenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)naphthalen-2-amine
PubChem CID172868696
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC Name6-(3-chlorophenyl)naphthalen-2-amine
SMILESNc1ccc2cc(-c3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C16H12ClN/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10H,18H2
InChIKeyJXURDZYAYARARE-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.74
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

3-(3-chlorophenyl)aniline;hydrochloride
CID 2757424
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
2-[4-(3-chlorophenyl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166916408
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411
7-chloronaphthalen-2-amine
CID 23423659
4-(6-aminonaphthalen-2-yl)phenol
CID 59449860
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
6,7-dichloronaphthalen-2-amine
CID 70123851
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
CID 721061
6-(3-chlorophenyl)-1H-indole
CID 22049229
1-[6-(3-chlorophenyl)naphthalen-2-yl]-2,3,4,5,6,7,8-heptadeuterionaphthalene
CID 169040063
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)naphthalen-2-amine?
The IUPAC name of 6-(3-chlorophenyl)naphthalen-2-amine (CID 172868696) is 6-(3-chlorophenyl)naphthalen-2-amine.
What is the SMILES notation for 6-(3-chlorophenyl)naphthalen-2-amine?
The canonical SMILES for 6-(3-chlorophenyl)naphthalen-2-amine is Nc1ccc2cc(-c3cccc(Cl)c3)ccc2c1.
What is the InChIKey of 6-(3-chlorophenyl)naphthalen-2-amine?
The InChIKey is JXURDZYAYARARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN/c17-15-3-1-2-11(9-15)12-4-5-14-10-16(18)7-6-13(14)8-12/h1-10H,18H2.
What are the key properties of 6-(3-chlorophenyl)naphthalen-2-amine?
6-(3-chlorophenyl)naphthalen-2-amine has a molecular weight of 253.73 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)naphthalen-2-amine is sourced from PubChem (CID 172868696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).