N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine

C15H17ClN2S — CID 63804931

IUPACN-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1Sc1ccccn1
InChIInChI=1S/C15H17ClN2S/c1-11(2)18-10-12-13(16)6-5-7-14(12)19-15-8-3-4-9-17-15/h3-9,11,18H,10H2,1-2H3
InChIKeyWUXDSIRZGVZMCJ-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.38
Rot. Bonds5

About N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine

N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine (PubChem CID 63804931) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine
PubChem CID63804931
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC NameN-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1c(Cl)cccc1Sc1ccccn1
InChIInChI=1S/C15H17ClN2S/c1-11(2)18-10-12-13(16)6-5-7-14(12)19-15-8-3-4-9-17-15/h3-9,11,18H,10H2,1-2H3
InChIKeyWUXDSIRZGVZMCJ-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-pyridin-2-ylsulfanylphenyl)butan-2-amine
CID 55239874
N-[[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methyl]propan-2-amine
CID 55238292
N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63804574
N-[(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 63813282
N-[1-(2-pyridin-2-ylsulfanylphenyl)ethyl]propan-1-amine
CID 43286336
1-[2-chloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-N-methylmethanamine
CID 63805451
N-[(2-chloro-6-pyrimidin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63804632
1-(2-chloro-6-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818341
N-[[2-chloro-6-[(3-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 63809010
1-chloro-N-[(2,6-dichlorophenyl)methyl]propan-2-amine
CID 65025739
N-[[2-(3-chloro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 103445354
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine (CID 63804931) is N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine is CC(C)NCc1c(Cl)cccc1Sc1ccccn1.
What is the InChIKey of N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine?
The InChIKey is WUXDSIRZGVZMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-11(2)18-10-12-13(16)6-5-7-14(12)19-15-8-3-4-9-17-15/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine?
N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine has a molecular weight of 292.84 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63804931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).