3-[2-(thian-4-yl)phenyl]propan-1-amine

C14H21NS — CID 117343756

IUPAC3-[2-(thian-4-yl)phenyl]propan-1-amine
SMILESNCCCc1ccccc1C1CCSCC1
InChIInChI=1S/C14H21NS/c15-9-3-5-12-4-1-2-6-14(12)13-7-10-16-11-8-13/h1-2,4,6,13H,3,5,7-11,15H2
InChIKeyAIKYODJAKIEEAW-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.19
Rot. Bonds4

About 3-[2-(thian-4-yl)phenyl]propan-1-amine

3-[2-(thian-4-yl)phenyl]propan-1-amine (PubChem CID 117343756) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 3-[2-(thian-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(thian-4-yl)phenyl]propan-1-amine
PubChem CID117343756
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name3-[2-(thian-4-yl)phenyl]propan-1-amine
SMILESNCCCc1ccccc1C1CCSCC1
InChIInChI=1S/C14H21NS/c15-9-3-5-12-4-1-2-6-14(12)13-7-10-16-11-8-13/h1-2,4,6,13H,3,5,7-11,15H2
InChIKeyAIKYODJAKIEEAW-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(thiolan-3-yl)phenyl]ethanamine
CID 84779898
3-[2-(4-methylcyclohexyl)phenyl]propan-1-amine
CID 117335183
N-methyl-2-[2-(thian-4-yl)phenyl]ethanamine
CID 115006069
4-[2-(oxan-4-yl)phenyl]butan-1-amine
CID 117339355
2-(2-cycloheptylphenyl)ethanamine
CID 83836329
3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one
CID 115038495
1-cyclopropyl-2-hexylbenzene
CID 172995295
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
2-[2-(4-tert-butylcyclohexyl)phenyl]ethanamine
CID 117403099
3-[3-methoxy-2-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451966
3-(4-chloro-2-cyclobutylphenyl)propan-1-amine
CID 145499027
1-cyclohexyl-2-heptylbenzene
CID 154399814

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thian-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-[2-(thian-4-yl)phenyl]propan-1-amine (CID 117343756) is 3-[2-(thian-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-(thian-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-(thian-4-yl)phenyl]propan-1-amine is NCCCc1ccccc1C1CCSCC1.
What is the InChIKey of 3-[2-(thian-4-yl)phenyl]propan-1-amine?
The InChIKey is AIKYODJAKIEEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c15-9-3-5-12-4-1-2-6-14(12)13-7-10-16-11-8-13/h1-2,4,6,13H,3,5,7-11,15H2.
What are the key properties of 3-[2-(thian-4-yl)phenyl]propan-1-amine?
3-[2-(thian-4-yl)phenyl]propan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thian-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 117343756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).