2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine

C12H17F2NS — CID 62576763

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NS/c1-8(2)15-7-9(3)16-10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,7H2,1-3H3
InChIKeyIHNIAFWPUCUTME-UHFFFAOYSA-N
MW245.34 g/mol
LogP3.44
Rot. Bonds5

About 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine

2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine (PubChem CID 62576763) has the molecular formula C12H17F2NS and a molecular weight of 245.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine
PubChem CID62576763
Molecular FormulaC12H17F2NS
Molecular Weight245.34 g/mol
Exact Mass245.10
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NS/c1-8(2)15-7-9(3)16-10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,7H2,1-3H3
InChIKeyIHNIAFWPUCUTME-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-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-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine
CID 62576350
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62576351
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
4-(3,4-difluorophenyl)sulfanylpentanoic acid
CID 62215056
N-[[5-chloro-2-(3,4-difluorophenyl)sulfanylphenyl]methyl]propan-2-amine
CID 114864276
2-(3,4-difluorophenyl)sulfanylpentan-3-amine
CID 64614302
2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64612846
1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 64613894
4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 82924989
4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64712171
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
N-[2-(3-chlorophenyl)sulfanylpropyl]pentan-3-amine
CID 63516794

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine (CID 62576763) is 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine?
The InChIKey is IHNIAFWPUCUTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NS/c1-8(2)15-7-9(3)16-10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,7H2,1-3H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine?
2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine has a molecular weight of 245.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62576763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).