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

C10H14ClNS — CID 82264895

IUPAC3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
SMILESCSc1ccc(Cl)cc1CCCN
InChIInChI=1S/C10H14ClNS/c1-13-10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7H,2-3,6,12H2,1H3
InChIKeyIXLKEEGQRJGVSS-UHFFFAOYSA-N
MW215.75 g/mol
LogP2.95
Rot. Bonds4

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

3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine (PubChem CID 82264895) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
PubChem CID82264895
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
SMILESCSc1ccc(Cl)cc1CCCN
InChIInChI=1S/C10H14ClNS/c1-13-10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7H,2-3,6,12H2,1H3
InChIKeyIXLKEEGQRJGVSS-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-chloro-2-methylsulfanylphenyl)butan-1-amine
CID 117331778
4-(5-bromo-2-methylsulfanylphenyl)butan-1-amine
CID 117437843
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
N-[(5-chloro-2-methylsulfanylphenyl)methyl]ethanamine
CID 82553412
3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117304754
2-(2-butylsulfanyl-5-chlorophenyl)ethanamine
CID 114866234
3-(4-fluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117288827
5-(3-aminopropyl)-2-methyl-4-methylsulfanylphenol
CID 117302130
3-(2-ethylsulfanyl-5-methylphenyl)propan-1-amine
CID 82264952
5-chloro-2-fluorobenzonitrile;5-chloro-2-methylsulfanylbenzonitrile;(5-chloro-2-methylsulfanylphenyl)methanamine
CID 160967991

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine (CID 82264895) is 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine is CSc1ccc(Cl)cc1CCCN.
What is the InChIKey of 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine?
The InChIKey is IXLKEEGQRJGVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-13-10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7H,2-3,6,12H2,1H3.
What are the key properties of 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine?
3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine has a molecular weight of 215.75 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 82264895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).