2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine

C17H18ClF2N — CID 114933720

IUPAC2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1c(F)cccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClF2N/c1-2-21-11-13(12-6-8-14(18)9-7-12)10-15-16(19)4-3-5-17(15)20/h3-9,13,21H,2,10-11H2,1H3
InChIKeyVJSJGXKUBKITFJ-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.55
Rot. Bonds6

About 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine

2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine (PubChem CID 114933720) has the molecular formula C17H18ClF2N and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
PubChem CID114933720
Molecular FormulaC17H18ClF2N
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1c(F)cccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClF2N/c1-2-21-11-13(12-6-8-14(18)9-7-12)10-15-16(19)4-3-5-17(15)20/h3-9,13,21H,2,10-11H2,1H3
InChIKeyVJSJGXKUBKITFJ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-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

3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 114933725
3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 65429482
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
3-(4-chlorophenyl)-4-(ethylamino)butanal
CID 89108234
3-(3-chlorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441774
3-(2,3-difluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432828
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
4-(2-chloro-6-fluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027454
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 79432118
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine (CID 114933720) is 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1c(F)cccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine?
The InChIKey is VJSJGXKUBKITFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N/c1-2-21-11-13(12-6-8-14(18)9-7-12)10-15-16(19)4-3-5-17(15)20/h3-9,13,21H,2,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine?
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine has a molecular weight of 309.79 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 114933720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).