2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine

C13H18ClNOS — CID 62995717

IUPAC2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine
SMILESNCC(SC1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNOS/c14-11-3-1-2-10(8-11)13(9-15)17-12-4-6-16-7-5-12/h1-3,8,12-13H,4-7,9,15H2
InChIKeyFILFDKPFDVVSSL-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.25
Rot. Bonds4

About 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine

2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine (PubChem CID 62995717) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine
PubChem CID62995717
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine
SMILESNCC(SC1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNOS/c14-11-3-1-2-10(8-11)13(9-15)17-12-4-6-16-7-5-12/h1-3,8,12-13H,4-7,9,15H2
InChIKeyFILFDKPFDVVSSL-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine 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

2-(oxan-4-ylsulfanyl)-2-thiophen-3-ylethanamine
CID 62994820
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63559032
2-(3-chlorophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 63171639
2-(3-chlorophenyl)-3-(oxan-4-yl)propanoic acid
CID 79440566
2-(3-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107780038
2-(4-bromophenyl)sulfanyl-2-(3-chlorophenyl)ethanamine
CID 55019714
2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
CID 79443640
1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine
CID 55019422
1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine
CID 63538085
1-(3-chlorophenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325832
2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine
CID 79442884

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine (CID 62995717) is 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine is NCC(SC1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine?
The InChIKey is FILFDKPFDVVSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c14-11-3-1-2-10(8-11)13(9-15)17-12-4-6-16-7-5-12/h1-3,8,12-13H,4-7,9,15H2.
What are the key properties of 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine?
2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine has a molecular weight of 271.81 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(oxan-4-ylsulfanyl)ethanamine is sourced from PubChem (CID 62995717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).