2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine

C16H19ClN2S — CID 64631081

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)CSc2ncccc2Cl)cc1
InChIInChI=1S/C16H19ClN2S/c1-2-4-12-6-8-13(9-7-12)15(18)11-20-16-14(17)5-3-10-19-16/h3,5-10,15H,2,4,11,18H2,1H3
InChIKeyLQTCZMWJEAVSQF-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.48
Rot. Bonds6

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine

2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine (PubChem CID 64631081) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine
PubChem CID64631081
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(N)CSc2ncccc2Cl)cc1
InChIInChI=1S/C16H19ClN2S/c1-2-4-12-6-8-13(9-7-12)15(18)11-20-16-14(17)5-3-10-19-16/h3,5-10,15H,2,4,11,18H2,1H3
InChIKeyLQTCZMWJEAVSQF-UHFFFAOYSA-N
XLogP4.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(3,4-difluorophenyl)ethanamine
CID 107525261
1-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylpentan-2-amine
CID 64630670
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
CID 64630836
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64631082
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
3-[(3-chloro-2-pyridinyl)sulfanyl]-2-phenylpropan-1-amine
CID 64537037
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine
CID 64629049
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine
CID 80891436
1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 103443973
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631084
2-phenyl-1-(4-propylphenyl)ethanamine
CID 43100730
1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
CID 103443990

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine (CID 64631081) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(N)CSc2ncccc2Cl)cc1.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine?
The InChIKey is LQTCZMWJEAVSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-2-4-12-6-8-13(9-7-12)15(18)11-20-16-14(17)5-3-10-19-16/h3,5-10,15H,2,4,11,18H2,1H3.
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine?
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine has a molecular weight of 306.86 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 64631081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).