(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine

C16H18FNS — CID 28623639

IUPAC(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNS/c1-12(14-5-7-15(17)8-6-14)18-11-13-3-9-16(19-2)10-4-13/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1
InChIKeyHAAXEVSAHHJTPE-LBPRGKRZSA-N
MW275.39 g/mol
LogP4.40
Rot. Bonds5

About (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine

(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 28623639) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
PubChem CID28623639
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
SMILESCSc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNS/c1-12(14-5-7-15(17)8-6-14)18-11-13-3-9-16(19-2)10-4-13/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1
InChIKeyHAAXEVSAHHJTPE-LBPRGKRZSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine 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-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 63645700
4-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzoic acid
CID 65347964
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
2-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetic acid
CID 103257154
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 134029101

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine (CID 28623639) is (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine is CSc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is HAAXEVSAHHJTPE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FNS/c1-12(14-5-7-15(17)8-6-14)18-11-13-3-9-16(19-2)10-4-13/h3-10,12,18H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine?
(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 28623639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).