1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine

C14H20ClNOS — CID 107762315

IUPAC1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1SC1CCOC1C
InChIInChI=1S/C14H20ClNOS/c1-9(16)7-11-3-4-12(15)8-14(11)18-13-5-6-17-10(13)2/h3-4,8-10,13H,5-7,16H2,1-2H3
InChIKeyVPVDCEWJSQJHRS-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.50
Rot. Bonds4

About 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine

1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine (PubChem CID 107762315) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine
PubChem CID107762315
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Name1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1SC1CCOC1C
InChIInChI=1S/C14H20ClNOS/c1-9(16)7-11-3-4-12(15)8-14(11)18-13-5-6-17-10(13)2/h3-4,8-10,13H,5-7,16H2,1-2H3
InChIKeyVPVDCEWJSQJHRS-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]methyl]propan-1-amine
CID 107761298
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
[2-(2-methyloxolan-3-yl)sulfanylphenyl]methanamine
CID 107751940
(1R)-1-[2-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750521
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
(1S)-1-[2-fluoro-6-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750531
1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 114860620
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114866451
1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]butan-2-amine
CID 107762287
1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine
CID 114866129
1-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]propan-2-amine
CID 114861717
2-(2-aminopropyl)-5-chlorophenol
CID 83697150

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine (CID 107762315) is 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine is CC(N)Cc1ccc(Cl)cc1SC1CCOC1C.
What is the InChIKey of 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine?
The InChIKey is VPVDCEWJSQJHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNOS/c1-9(16)7-11-3-4-12(15)8-14(11)18-13-5-6-17-10(13)2/h3-4,8-10,13H,5-7,16H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine?
1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine has a molecular weight of 285.84 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2-methyloxolan-3-yl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 107762315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).