2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol

C14H21NOS — CID 112514142

IUPAC2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
SMILESCCSc1ccc(C(O)C(C)NC2CC2)cc1
InChIInChI=1S/C14H21NOS/c1-3-17-13-8-4-11(5-9-13)14(16)10(2)15-12-6-7-12/h4-5,8-10,12,14-16H,3,6-7H2,1-2H3
InChIKeyABKKSJGTXBLDQI-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.97
Rot. Bonds6

About 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol

2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol (PubChem CID 112514142) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
PubChem CID112514142
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
SMILESCCSc1ccc(C(O)C(C)NC2CC2)cc1
InChIInChI=1S/C14H21NOS/c1-3-17-13-8-4-11(5-9-13)14(16)10(2)15-12-6-7-12/h4-5,8-10,12,14-16H,3,6-7H2,1-2H3
InChIKeyABKKSJGTXBLDQI-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
CID 115769694
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 112514141
2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 70554945
4-[1-(4-ethylsulfanylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031139
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791
2-(cycloheptylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316057
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
2-(cyclopropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 82289334
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 112514138
N'-cyclopropyl-1-(4-ethylsulfanylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116906127

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol (CID 112514142) is 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol is CCSc1ccc(C(O)C(C)NC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol?
The InChIKey is ABKKSJGTXBLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-17-13-8-4-11(5-9-13)14(16)10(2)15-12-6-7-12/h4-5,8-10,12,14-16H,3,6-7H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol?
2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 112514142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).