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

C16H17ClFN — CID 79440300

IUPAC3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFN/c1-19-11-14(13-3-2-4-16(18)10-13)9-12-5-7-15(17)8-6-12/h2-8,10,14,19H,9,11H2,1H3
InChIKeyXVSSEXGQFFHYAF-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.02
Rot. Bonds5

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

3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 79440300) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID79440300
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17ClFN/c1-19-11-14(13-3-2-4-16(18)10-13)9-12-5-7-15(17)8-6-12/h2-8,10,14,19H,9,11H2,1H3
InChIKeyXVSSEXGQFFHYAF-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440147
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
2-[(4-chlorophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516086
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine (CID 79440300) is 3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is XVSSEXGQFFHYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-19-11-14(13-3-2-4-16(18)10-13)9-12-5-7-15(17)8-6-12/h2-8,10,14,19H,9,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine?
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79440300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).