[5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine

C18H16ClN — CID 81431357

IUPAC[5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine
SMILESCc1ccc2ccccc2c1-c1ccc(Cl)cc1CN
InChIInChI=1S/C18H16ClN/c1-12-6-7-13-4-2-3-5-16(13)18(12)17-9-8-15(19)10-14(17)11-20/h2-10H,11,20H2,1H3
InChIKeyLOZAWBNUTJYIFF-UHFFFAOYSA-N
MW281.79 g/mol
LogP4.93
Rot. Bonds2

About [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine

[5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine (PubChem CID 81431357) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine
PubChem CID81431357
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name[5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine
SMILESCc1ccc2ccccc2c1-c1ccc(Cl)cc1CN
InChIInChI=1S/C18H16ClN/c1-12-6-7-13-4-2-3-5-16(13)18(12)17-9-8-15(19)10-14(17)11-20/h2-10H,11,20H2,1H3
InChIKeyLOZAWBNUTJYIFF-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine (CID 81431357) is [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine is Cc1ccc2ccccc2c1-c1ccc(Cl)cc1CN.
What is the InChIKey of [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine?
The InChIKey is LOZAWBNUTJYIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-12-6-7-13-4-2-3-5-16(13)18(12)17-9-8-15(19)10-14(17)11-20/h2-10H,11,20H2,1H3.
What are the key properties of [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine?
[5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine has a molecular weight of 281.79 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-methylnaphthalen-1-yl)phenyl]methanamine is sourced from PubChem (CID 81431357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).