2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol

C13H21NOS — CID 64808532

IUPAC2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
SMILESCCNC(CO)CCSc1cccc(C)c1
InChIInChI=1S/C13H21NOS/c1-3-14-12(10-15)7-8-16-13-6-4-5-11(2)9-13/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3
InChIKeyPNCLLYKDUTVZJA-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.45
Rot. Bonds7

About 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol

2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol (PubChem CID 64808532) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
PubChem CID64808532
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
SMILESCCNC(CO)CCSc1cccc(C)c1
InChIInChI=1S/C13H21NOS/c1-3-14-12(10-15)7-8-16-13-6-4-5-11(2)9-13/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3
InChIKeyPNCLLYKDUTVZJA-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-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-(methylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64806432
2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64819222
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
N-ethyl-5-(3-methylphenyl)sulfanylpentan-2-amine
CID 64628101
N-[2-(3-methylphenyl)sulfanylethyl]pentan-3-amine
CID 62580669
4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine
CID 64625894
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
N-ethyl-1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-amine
CID 79575255
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
N-[2-(3-methylphenyl)sulfanylethyl]pentan-2-amine
CID 62580487
N-ethyl-1-(3-methylphenyl)sulfanylpent-4-yn-2-amine
CID 66088364
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol (CID 64808532) is 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol is CCNC(CO)CCSc1cccc(C)c1.
What is the InChIKey of 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol?
The InChIKey is PNCLLYKDUTVZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-14-12(10-15)7-8-16-13-6-4-5-11(2)9-13/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol?
2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol is sourced from PubChem (CID 64808532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).