3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine

C16H17ClFN — CID 103049752

IUPAC3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C16H17ClFN/c1-19-11-14(12-5-3-2-4-6-12)9-13-10-15(17)7-8-16(13)18/h2-8,10,14,19H,9,11H2,1H3
InChIKeyJABYPFVNPWSVOU-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.02
Rot. Bonds5

About 3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine

3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 103049752) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
PubChem CID103049752
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1cc(Cl)ccc1F)c1ccccc1
InChIInChI=1S/C16H17ClFN/c1-19-11-14(12-5-3-2-4-6-12)9-13-10-15(17)7-8-16(13)18/h2-8,10,14,19H,9,11H2,1H3
InChIKeyJABYPFVNPWSVOU-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-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 103049776
2-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049778
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
2-[(2-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049663
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 114858886

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine (CID 103049752) is 3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine is CNCC(Cc1cc(Cl)ccc1F)c1ccccc1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is JABYPFVNPWSVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-19-11-14(12-5-3-2-4-6-12)9-13-10-15(17)7-8-16(13)18/h2-8,10,14,19H,9,11H2,1H3.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine?
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-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-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 103049752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).