3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine

C11H14ClF2N — CID 103759735

IUPAC3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C11H14ClF2N/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10-11,15H,2,7H2,1H3
InChIKeyHNUZDOXJOCKQHQ-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.13
Rot. Bonds5

About 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine

3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine (PubChem CID 103759735) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
PubChem CID103759735
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C11H14ClF2N/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10-11,15H,2,7H2,1H3
InChIKeyHNUZDOXJOCKQHQ-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-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

1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
3-(4-chlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496291
3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103516664
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
1-(4-chlorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 60818141
1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 103759808
3-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 55132814
3-(2,3-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 107311776
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62964463
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 63527053
1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 103040493

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine (CID 103759735) is 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine is CCNC(Cc1ccc(Cl)cc1)C(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine?
The InChIKey is HNUZDOXJOCKQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N/c1-2-15-10(11(13)14)7-8-3-5-9(12)6-4-8/h3-6,10-11,15H,2,7H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine?
3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine has a molecular weight of 233.69 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine is sourced from PubChem (CID 103759735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).