1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol

C12H19NOS — CID 60892013

IUPAC1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1ccccc1C
InChIInChI=1S/C12H19NOS/c1-3-13-8-11(14)9-15-12-7-5-4-6-10(12)2/h4-7,11,13-14H,3,8-9H2,1-2H3
InChIKeyYGVMPGYPKFVFJW-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.06
Rot. Bonds6

About 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol

1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 60892013) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID60892013
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCCNCC(O)CSc1ccccc1C
InChIInChI=1S/C12H19NOS/c1-3-13-8-11(14)9-15-12-7-5-4-6-10(12)2/h4-7,11,13-14H,3,8-9H2,1-2H3
InChIKeyYGVMPGYPKFVFJW-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096318
1-(2-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096526
1-(ethylamino)-4,4-diphenylbutan-2-ol
CID 21411045
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66097992
1-(ethylamino)-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 65043291
1-(2-methylphenyl)sulfanyl-5-methylsulfonylpentan-2-ol
CID 66097557
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
CID 79444367
1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79745363
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
1-(ethylamino)-3-[(2-methylphenyl)methylsulfonyl]propan-2-ol
CID 115476752
1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79752637
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096970

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol (CID 60892013) is 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol is CCNCC(O)CSc1ccccc1C.
What is the InChIKey of 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is YGVMPGYPKFVFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-13-8-11(14)9-15-12-7-5-4-6-10(12)2/h4-7,11,13-14H,3,8-9H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol?
1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 225.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 60892013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).