1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine

C16H17ClFN — CID 115794403

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN/c1-19-15(11-10-12-6-3-2-4-7-12)16-13(17)8-5-9-14(16)18/h2-9,15,19H,10-11H2,1H3
InChIKeyFLVBIYGUJJWLQF-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.37
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine

1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 115794403) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID115794403
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFN/c1-19-15(11-10-12-6-3-2-4-7-12)16-13(17)8-5-9-14(16)18/h2-9,15,19H,10-11H2,1H3
InChIKeyFLVBIYGUJJWLQF-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861153
1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987746
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 107991975
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
[1-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)propyl]hydrazine
CID 114275500
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 61063993
N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
CID 115794332
1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794283
1-(2,6-dichlorophenyl)-N-methyloctan-1-amine
CID 115832250
[1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284649

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine (CID 115794403) is 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is FLVBIYGUJJWLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-19-15(11-10-12-6-3-2-4-7-12)16-13(17)8-5-9-14(16)18/h2-9,15,19H,10-11H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine?
1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 277.77 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 115794403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).