(4-chloronaphthalen-1-yl)-phenylmethanamine

C17H14ClN — CID 79597515

IUPAC(4-chloronaphthalen-1-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H14ClN/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(19)12-6-2-1-3-7-12/h1-11,17H,19H2
InChIKeyRUKZNWRDGVZYMN-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.54
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-phenylmethanamine

(4-chloronaphthalen-1-yl)-phenylmethanamine (PubChem CID 79597515) has the molecular formula C17H14ClN and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-phenylmethanamine.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-phenylmethanamine
PubChem CID79597515
Molecular FormulaC17H14ClN
Molecular Weight267.76 g/mol
Exact Mass267.08
IUPAC Name(4-chloronaphthalen-1-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H14ClN/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(19)12-6-2-1-3-7-12/h1-11,17H,19H2
InChIKeyRUKZNWRDGVZYMN-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloronaphthalen-1-yl)-(4-fluorophenyl)methanamine
CID 79596820
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
(4-chloronaphthalen-1-yl)-(3-fluorophenyl)methanamine
CID 79597450
(4-chloro-3-fluorophenyl)-(4-chloronaphthalen-1-yl)methanamine
CID 107998798
(4-chloronaphthalen-1-yl)-(2,5-dichlorophenyl)methanamine
CID 79592111
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-amine
CID 79597241
(4-chloronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 79591905
(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine
CID 79596963
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
(2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride
CID 167531061
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
CID 79592123

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-phenylmethanamine?
The IUPAC name of (4-chloronaphthalen-1-yl)-phenylmethanamine (CID 79597515) is (4-chloronaphthalen-1-yl)-phenylmethanamine.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-phenylmethanamine?
The canonical SMILES for (4-chloronaphthalen-1-yl)-phenylmethanamine is NC(c1ccccc1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-phenylmethanamine?
The InChIKey is RUKZNWRDGVZYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN/c18-16-11-10-15(13-8-4-5-9-14(13)16)17(19)12-6-2-1-3-7-12/h1-11,17H,19H2.
What are the key properties of (4-chloronaphthalen-1-yl)-phenylmethanamine?
(4-chloronaphthalen-1-yl)-phenylmethanamine has a molecular weight of 267.76 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-phenylmethanamine is sourced from PubChem (CID 79597515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).