2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine

C18H21ClFN — CID 79432118

IUPAC2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClFN/c1-2-11-21-13-16(14-7-9-17(19)10-8-14)12-15-5-3-4-6-18(15)20/h3-10,16,21H,2,11-13H2,1H3
InChIKeyUCFKZZWOQAJJOQ-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.80
Rot. Bonds7

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

2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 79432118) has the molecular formula C18H21ClFN and a molecular weight of 305.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
PubChem CID79432118
Molecular FormulaC18H21ClFN
Molecular Weight305.82 g/mol
Exact Mass305.13
IUPAC Name2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClFN/c1-2-11-21-13-16(14-7-9-17(19)10-8-14)12-15-5-3-4-6-18(15)20/h3-10,16,21H,2,11-13H2,1H3
InChIKeyUCFKZZWOQAJJOQ-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
3-(2-chlorophenyl)-2-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79432134
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79432117
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
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
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
CID 81028438
2-(4-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79438121
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine (CID 79432118) is 2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine is CCCNCC(Cc1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is UCFKZZWOQAJJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN/c1-2-11-21-13-16(14-7-9-17(19)10-8-14)12-15-5-3-4-6-18(15)20/h3-10,16,21H,2,11-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine?
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 305.82 g/mol, XLogP of 4.80, 7 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-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 79432118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).