N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine

C17H25F2NS — CID 65144595

IUPACN-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C17H25F2NS/c1-2-11-20-16(12-21-13-7-4-3-5-8-13)14-9-6-10-15(18)17(14)19/h6,9-10,13,16,20H,2-5,7-8,11-12H2,1H3
InChIKeyJBROPOGNOONPNH-UHFFFAOYSA-N
MW313.46 g/mol
LogP5.07
Rot. Bonds7

About N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine

N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine (PubChem CID 65144595) has the molecular formula C17H25F2NS and a molecular weight of 313.46 g/mol. Its IUPAC name is N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine
PubChem CID65144595
Molecular FormulaC17H25F2NS
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(CSC1CCCCC1)c1cccc(F)c1F
InChIInChI=1S/C17H25F2NS/c1-2-11-20-16(12-21-13-7-4-3-5-8-13)14-9-6-10-15(18)17(14)19/h6,9-10,13,16,20H,2-5,7-8,11-12H2,1H3
InChIKeyJBROPOGNOONPNH-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine 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

N-[2-cyclopentylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 65140573
N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 65144498
N-[2-cyclohexylsulfanyl-1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 107128784
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 65144292
2-cyclohexylsulfanyl-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65144633
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine (CID 65144595) is N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine is CCCNC(CSC1CCCCC1)c1cccc(F)c1F.
What is the InChIKey of N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is JBROPOGNOONPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NS/c1-2-11-20-16(12-21-13-7-4-3-5-8-13)14-9-6-10-15(18)17(14)19/h6,9-10,13,16,20H,2-5,7-8,11-12H2,1H3.
What are the key properties of N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine?
N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 313.46 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexylsulfanyl-1-(2,3-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65144595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).