1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine

C10H14ClNS — CID 117307572

IUPAC1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cc(Cl)cc(CC(C)N)c1
InChIInChI=1S/C10H14ClNS/c1-7(12)3-8-4-9(11)6-10(5-8)13-2/h4-7H,3,12H2,1-2H3
InChIKeyUIMRTSJEIKCUBQ-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.95
Rot. Bonds3

About 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine

1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine (PubChem CID 117307572) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine
PubChem CID117307572
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cc(Cl)cc(CC(C)N)c1
InChIInChI=1S/C10H14ClNS/c1-7(12)3-8-4-9(11)6-10(5-8)13-2/h4-7H,3,12H2,1-2H3
InChIKeyUIMRTSJEIKCUBQ-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methylsulfanylphenyl)methanol
CID 84661794
1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891292
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979
1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
CID 11300389
1-(2,3-dimethyl-5-methylsulfanylphenyl)propan-2-amine
CID 117299560
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
CID 123273129
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine (CID 117307572) is 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine is CSc1cc(Cl)cc(CC(C)N)c1.
What is the InChIKey of 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine?
The InChIKey is UIMRTSJEIKCUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-7(12)3-8-4-9(11)6-10(5-8)13-2/h4-7H,3,12H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine?
1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine has a molecular weight of 215.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 117307572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).