2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine

C18H21ClFN — CID 79436850

IUPAC2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClFN/c1-13(2)21-12-15(17-5-3-4-6-18(17)19)11-14-7-9-16(20)10-8-14/h3-10,13,15,21H,11-12H2,1-2H3
InChIKeyOHZWQOFTFNCVLO-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.80
Rot. Bonds6

About 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine

2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 79436850) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
PubChem CID79436850
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClFN/c1-13(2)21-12-15(17-5-3-4-6-18(17)19)11-14-7-9-16(20)10-8-14/h3-10,13,15,21H,11-12H2,1-2H3
InChIKeyOHZWQOFTFNCVLO-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-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-(4-chlorophenyl)-2-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79434390
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79436263
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866
2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644240
2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 107053486
2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79437061
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 79562895
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine (CID 79436850) is 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is OHZWQOFTFNCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-13(2)21-12-15(17-5-3-4-6-18(17)19)11-14-7-9-16(20)10-8-14/h3-10,13,15,21H,11-12H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine?
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79436850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).