N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine

C11H15ClFNS — CID 114453134

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFNS/c1-8(7-15-2)14-6-9-3-10(12)5-11(13)4-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyDJNSGVWYMXRVCH-UHFFFAOYSA-N
MW247.77 g/mol
LogP3.32
Rot. Bonds5

About N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine

N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine (PubChem CID 114453134) has the molecular formula C11H15ClFNS and a molecular weight of 247.77 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
PubChem CID114453134
Molecular FormulaC11H15ClFNS
Molecular Weight247.77 g/mol
Exact Mass247.06
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1cc(F)cc(Cl)c1
InChIInChI=1S/C11H15ClFNS/c1-8(7-15-2)14-6-9-3-10(12)5-11(13)4-9/h3-5,8,14H,6-7H2,1-2H3
InChIKeyDJNSGVWYMXRVCH-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-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-[(3-chlorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639887
N-[(3,5-dimethylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639704
N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 114452647
(1R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104928542
N-[(3,5-dichlorophenyl)methyl]butan-2-amine
CID 46736337
tert-butyl N-[2-[(3-chloro-5-fluorophenyl)methylamino]propyl]carbamate
CID 107248595
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104928541
(2R)-2-N-[(3,5-dichlorophenyl)methyl]propane-1,2-diamine
CID 104868163
N-[(3,5-difluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899776
2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 114452378
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine (CID 114453134) is N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NCc1cc(F)cc(Cl)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is DJNSGVWYMXRVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNS/c1-8(7-15-2)14-6-9-3-10(12)5-11(13)4-9/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine?
N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 247.77 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 114453134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).