(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine

C17H14ClNS — CID 63404639

IUPAC(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine
SMILESNCc1ccc(Cl)cc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H14ClNS/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11,19H2
InChIKeyYBEUELWJVVOEOD-UHFFFAOYSA-N
MW299.83 g/mol
LogP5.10
Rot. Bonds3

About (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine

(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine (PubChem CID 63404639) has the molecular formula C17H14ClNS and a molecular weight of 299.83 g/mol. Its IUPAC name is (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine
PubChem CID63404639
Molecular FormulaC17H14ClNS
Molecular Weight299.83 g/mol
Exact Mass299.05
IUPAC Name(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine
SMILESNCc1ccc(Cl)cc1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H14ClNS/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11,19H2
InChIKeyYBEUELWJVVOEOD-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.83
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine?
The IUPAC name of (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine (CID 63404639) is (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine is NCc1ccc(Cl)cc1Sc1ccc2ccccc2c1.
What is the InChIKey of (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine?
The InChIKey is YBEUELWJVVOEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNS/c18-15-7-5-14(11-19)17(10-15)20-16-8-6-12-3-1-2-4-13(12)9-16/h1-10H,11,19H2.
What are the key properties of (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine?
(4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine has a molecular weight of 299.83 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-naphthalen-2-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 63404639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).