[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine

C17H13Cl2N — CID 79597387

IUPAC[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H13Cl2N/c18-12-5-6-13(11(9-12)10-20)15-7-8-17(19)16-4-2-1-3-14(15)16/h1-9H,10,20H2
InChIKeyRQZJDBBEVOEGFY-UHFFFAOYSA-N
MW302.20 g/mol
LogP5.27
Rot. Bonds2

About [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine

[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine (PubChem CID 79597387) has the molecular formula C17H13Cl2N and a molecular weight of 302.20 g/mol. Its IUPAC name is [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine
PubChem CID79597387
Molecular FormulaC17H13Cl2N
Molecular Weight302.20 g/mol
Exact Mass301.04
IUPAC Name[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1-c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H13Cl2N/c18-12-5-6-13(11(9-12)10-20)15-7-8-17(19)16-4-2-1-3-14(15)16/h1-9H,10,20H2
InChIKeyRQZJDBBEVOEGFY-UHFFFAOYSA-N
XLogP5.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.20
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine (CID 79597387) is [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine is NCc1cc(Cl)ccc1-c1ccc(Cl)c2ccccc12.
What is the InChIKey of [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine?
The InChIKey is RQZJDBBEVOEGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N/c18-12-5-6-13(11(9-12)10-20)15-7-8-17(19)16-4-2-1-3-14(15)16/h1-9H,10,20H2.
What are the key properties of [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine?
[5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine has a molecular weight of 302.20 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-chloronaphthalen-1-yl)phenyl]methanamine is sourced from PubChem (CID 79597387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).