N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine

C14H15ClN2S — CID 114864071

IUPACN-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Sc1ccccn1
InChIInChI=1S/C14H15ClN2S/c1-2-16-10-11-6-7-12(15)9-13(11)18-14-5-3-4-8-17-14/h3-9,16H,2,10H2,1H3
InChIKeyDQJVYTNQZWPFPL-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.00
Rot. Bonds5

About N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine

N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine (PubChem CID 114864071) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
PubChem CID114864071
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC NameN-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Sc1ccccn1
InChIInChI=1S/C14H15ClN2S/c1-2-16-10-11-6-7-12(15)9-13(11)18-14-5-3-4-8-17-14/h3-9,16H,2,10H2,1H3
InChIKeyDQJVYTNQZWPFPL-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864195
N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63806325
N-[(4-chloro-2-pyrimidin-4-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864690
N-[[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 114864036
4-chloro-2-pyridin-2-ylsulfanylbenzaldehyde
CID 114863609
4-chloro-2-pyridin-2-ylsulfanylbenzoic acid
CID 63083040
N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63805494
N-[(4-bromo-2-pyridin-2-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 63806322
N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114864894
N-[[4-chloro-2-(2-chlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 114864012
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[[4-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 114864251

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine (CID 114864071) is N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine is CCNCc1ccc(Cl)cc1Sc1ccccn1.
What is the InChIKey of N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine?
The InChIKey is DQJVYTNQZWPFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-2-16-10-11-6-7-12(15)9-13(11)18-14-5-3-4-8-17-14/h3-9,16H,2,10H2,1H3.
What are the key properties of N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine?
N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine has a molecular weight of 278.81 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 114864071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).