2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol

C16H25NOS — CID 64807979

IUPAC2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCCNC(CO)(CSCc1ccccc1C)C1CC1
InChIInChI=1S/C16H25NOS/c1-3-17-16(11-18,15-8-9-15)12-19-10-14-7-5-4-6-13(14)2/h4-7,15,17-18H,3,8-12H2,1-2H3
InChIKeyWOTROYJVPYDUIM-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.98
Rot. Bonds8

About 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol (PubChem CID 64807979) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol
PubChem CID64807979
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol
SMILESCCNC(CO)(CSCc1ccccc1C)C1CC1
InChIInChI=1S/C16H25NOS/c1-3-17-16(11-18,15-8-9-15)12-19-10-14-7-5-4-6-13(14)2/h4-7,15,17-18H,3,8-12H2,1-2H3
InChIKeyWOTROYJVPYDUIM-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]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

(2R)-3-phenyl-2-(thiolan-3-ylamino)propan-1-ol
CID 121514159
2-Cyclopropyl-3-(4-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64805551
2-Cyclopropyl-3-(4-fluorophenyl)sulfanyl-2-(propylamino)propan-1-ol
CID 64806380
2-Cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806788
2-Cyclopropyl-2-(ethylamino)-3-(4-fluorophenyl)sulfanylpropan-1-ol
CID 64807016
2-Cyclopropyl-3-(2-fluorophenyl)sulfanyl-2-(propylamino)propan-1-ol
CID 64807609
2-Cyclopropyl-3-(2,5-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol
CID 64807670
2-Cyclopropyl-3-(2,5-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol
CID 64807672
2-Cyclopropyl-2-(ethylamino)-3-(2-fluorophenyl)sulfanylpropan-1-ol
CID 64808237
2-Cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol
CID 64819253
2-Cyclopropyl-3-(2,4-difluorophenyl)sulfanyl-2-(propylamino)propan-1-ol
CID 64819479
2-Cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol
CID 64819927

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol (CID 64807979) is 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol is CCNC(CO)(CSCc1ccccc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
The InChIKey is WOTROYJVPYDUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-17-16(11-18,15-8-9-15)12-19-10-14-7-5-4-6-13(14)2/h4-7,15,17-18H,3,8-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 64807979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).