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

C14H23NOS — CID 112514141

IUPAC1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCCSc1ccc(C(O)C(C)NC(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-5-17-13-8-6-12(7-9-13)14(16)11(4)15-10(2)3/h6-11,14-16H,5H2,1-4H3
InChIKeyLGXCYRRNXLVVKQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.22
Rot. Bonds6

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

1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 112514141) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID112514141
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
SMILESCCSc1ccc(C(O)C(C)NC(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-5-17-13-8-6-12(7-9-13)14(16)11(4)15-10(2)3/h6-11,14-16H,5H2,1-4H3
InChIKeyLGXCYRRNXLVVKQ-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol 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-(propan-2-ylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol;hydrochloride
CID 3042918
N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
CID 115769723
2-(cyclopropylamino)-1-(4-ethylsulfanylphenyl)propan-1-ol
CID 112514142
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 112514138
N-[4-[1-hydroxy-2-(propan-2-ylamino)propyl]phenyl]propanamide
CID 82315401
1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
CID 116859470
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
2-amino-4-(dimethylamino)-1-(4-ethylsulfanylphenyl)butan-1-ol
CID 83935836
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
(4-ethylsulfanylphenyl)methanediamine
CID 116939199

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol (CID 112514141) is 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol is CCSc1ccc(C(O)C(C)NC(C)C)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is LGXCYRRNXLVVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-17-13-8-6-12(7-9-13)14(16)11(4)15-10(2)3/h6-11,14-16H,5H2,1-4H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol?
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 112514141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).