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

C12H19NOS — CID 116859470

IUPAC1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
SMILESCCSc1ccc(C(NC)C(C)O)cc1
InChIInChI=1S/C12H19NOS/c1-4-15-11-7-5-10(6-8-11)12(13-3)9(2)14/h5-9,12-14H,4H2,1-3H3
InChIKeyNGJRXBHXNIBAQY-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.44
Rot. Bonds5

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

1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol (PubChem CID 116859470) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
PubChem CID116859470
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
SMILESCCSc1ccc(C(NC)C(C)O)cc1
InChIInChI=1S/C12H19NOS/c1-4-15-11-7-5-10(6-8-11)12(13-3)9(2)14/h5-9,12-14H,4H2,1-3H3
InChIKeyNGJRXBHXNIBAQY-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-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-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol
CID 116959909
1-(methylamino)-1-(4-methylphenyl)propan-2-ol
CID 116859377
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 112514141
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 112514138
2-(4-ethylsulfanylphenyl)-2-(methylamino)acetic acid
CID 82473470
1-(methylamino)-1-pyridin-4-ylpropan-2-ol
CID 116859507
N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
CID 115769723
4-(4-ethylsulfanylphenyl)-4-(methylamino)butan-2-one
CID 116956055
1-(4-ethylsulfanylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 106848987
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
(4-ethylsulfanylphenyl)methanediamine
CID 116939199

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol (CID 116859470) is 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol is CCSc1ccc(C(NC)C(C)O)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol?
The InChIKey is NGJRXBHXNIBAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-15-11-7-5-10(6-8-11)12(13-3)9(2)14/h5-9,12-14H,4H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol?
1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol has a molecular weight of 225.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 116859470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).