1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine

C14H21NS — CID 64662332

IUPAC1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1cccc(SCC2CCCC2)c1
InChIInChI=1S/C14H21NS/c1-11(15)13-7-4-8-14(9-13)16-10-12-5-2-3-6-12/h4,7-9,11-12H,2-3,5-6,10,15H2,1H3
InChIKeyJDXNQUHUYRUZCR-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.99
Rot. Bonds4

About 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine

1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine (PubChem CID 64662332) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine
PubChem CID64662332
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine
SMILESCC(N)c1cccc(SCC2CCCC2)c1
InChIInChI=1S/C14H21NS/c1-11(15)13-7-4-8-14(9-13)16-10-12-5-2-3-6-12/h4,7-9,11-12H,2-3,5-6,10,15H2,1H3
InChIKeyJDXNQUHUYRUZCR-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylmethylsulfanyl)phenyl]ethanamine
CID 64662516
1-[3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)phenyl]ethanamine
CID 102901168
3-[3-(cyclohexylmethylsulfanyl)phenyl]-2,2-dideuterio-3-hydroxypropanenitrile
CID 87282714
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
4-(cyclohexylmethylsulfanyl)benzene-1,2-diamine
CID 20532843
(1S)-1-[5-(cyclopentylmethylsulfanyl)-2-pyridinyl]ethanamine
CID 83124314
(1S)-1-(3-methylsulfanylphenyl)ethanamine;hydrochloride
CID 168719793
4-(cyclopentylmethylsulfanyl)-2-methylaniline
CID 63119416
1-[3-(2-phenylethylsulfanyl)phenyl]ethanamine
CID 64662525
1-(3-octylsulfanylphenyl)ethanamine
CID 64662322
1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanamine
CID 114934306
3-(cyclopropylmethylsulfanyl)phenol
CID 112623566

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine (CID 64662332) is 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine is CC(N)c1cccc(SCC2CCCC2)c1.
What is the InChIKey of 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine?
The InChIKey is JDXNQUHUYRUZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11(15)13-7-4-8-14(9-13)16-10-12-5-2-3-6-12/h4,7-9,11-12H,2-3,5-6,10,15H2,1H3.
What are the key properties of 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine?
1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylmethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 64662332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).