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

C14H21NOS — CID 115005189

IUPAC1-[2-(thian-4-yloxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OC1CCSCC1
InChIInChI=1S/C14H21NOS/c1-11(15)10-12-4-2-3-5-14(12)16-13-6-8-17-9-7-13/h2-5,11,13H,6-10,15H2,1H3
InChIKeyZRESDAGFASVQCL-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.85
Rot. Bonds4

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

1-[2-(thian-4-yloxy)phenyl]propan-2-amine (PubChem CID 115005189) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-[2-(thian-4-yloxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(thian-4-yloxy)phenyl]propan-2-amine
PubChem CID115005189
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-[2-(thian-4-yloxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccccc1OC1CCSCC1
InChIInChI=1S/C14H21NOS/c1-11(15)10-12-4-2-3-5-14(12)16-13-6-8-17-9-7-13/h2-5,11,13H,6-10,15H2,1H3
InChIKeyZRESDAGFASVQCL-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-1-[2-(thian-4-yloxy)phenyl]methanamine
CID 115005293
1-cyclopentyloxy-2-(2-methylpropyl)benzene
CID 142580992
2-(thian-4-yloxy)aniline
CID 14819600
1-(2-cyclohexyloxyphenyl)butan-2-amine
CID 54930577
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
3-[2-(thian-4-yloxy)phenyl]butanal
CID 117415908
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
2-[2-(thiolan-3-yloxy)phenyl]propan-1-ol
CID 117349636
1-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-2-amine
CID 117422381
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-4-yloxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(thian-4-yloxy)phenyl]propan-2-amine (CID 115005189) is 1-[2-(thian-4-yloxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(thian-4-yloxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(thian-4-yloxy)phenyl]propan-2-amine is CC(N)Cc1ccccc1OC1CCSCC1.
What is the InChIKey of 1-[2-(thian-4-yloxy)phenyl]propan-2-amine?
The InChIKey is ZRESDAGFASVQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(15)10-12-4-2-3-5-14(12)16-13-6-8-17-9-7-13/h2-5,11,13H,6-10,15H2,1H3.
What are the key properties of 1-[2-(thian-4-yloxy)phenyl]propan-2-amine?
1-[2-(thian-4-yloxy)phenyl]propan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-4-yloxy)phenyl]propan-2-amine is sourced from PubChem (CID 115005189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).