(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine

C10H13ClFN — CID 126988283

IUPAC(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCN[C@@H](C)c1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFN/c1-3-13-7(2)8-5-4-6-9(11)10(8)12/h4-7,13H,3H2,1-2H3/t7-/m0/s1
InChIKeyOQVKEZVLBFLRNU-ZETCQYMHSA-N
MW201.67 g/mol
LogP3.15
Rot. Bonds3

About (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine

(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine (PubChem CID 126988283) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
PubChem CID126988283
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine
SMILESCCN[C@@H](C)c1cccc(Cl)c1F
InChIInChI=1S/C10H13ClFN/c1-3-13-7(2)8-5-4-6-9(11)10(8)12/h4-7,13H,3H2,1-2H3/t7-/m0/s1
InChIKeyOQVKEZVLBFLRNU-ZETCQYMHSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine 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

1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714352
N-[(3-chloro-2-fluorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 64712464
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79177729
1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64712462
2-(3-chloro-2-fluorophenyl)-2-(ethylamino)acetamide
CID 114488098
1-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 116689275
N-[(3-chloro-2-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878168
N-[(4-chloro-2,5-dimethylphenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 81267229
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 79444566
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine?
The IUPAC name of (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine (CID 126988283) is (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine is CCN[C@@H](C)c1cccc(Cl)c1F.
What is the InChIKey of (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine?
The InChIKey is OQVKEZVLBFLRNU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-3-13-7(2)8-5-4-6-9(11)10(8)12/h4-7,13H,3H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine?
(1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine has a molecular weight of 201.67 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-2-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 126988283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).