1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine

C16H17ClFN — CID 107991975

IUPAC1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H17ClFN/c1-19-16(10-7-12-5-3-2-4-6-12)13-8-9-14(17)15(18)11-13/h2-6,8-9,11,16,19H,7,10H2,1H3
InChIKeyKBCAZYIUGYKRDD-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.37
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine

1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 107991975) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID107991975
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H17ClFN/c1-19-16(10-7-12-5-3-2-4-6-12)13-8-9-14(17)15(18)11-13/h2-6,8-9,11,16,19H,7,10H2,1H3
InChIKeyKBCAZYIUGYKRDD-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-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794283
1-(4-chloro-3-fluorophenyl)-N-methylethane-1,2-diamine
CID 62066014
1-(2-chloro-6-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794403
3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
CID 63400103
1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105076807
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107995020
1-(4-chloro-3-fluorophenyl)-N-methylhex-5-yn-1-amine
CID 107995061
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
CID 115794332
1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794186
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
1-(4-chloro-3-fluorophenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107994783

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine (CID 107991975) is 1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is KBCAZYIUGYKRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-19-16(10-7-12-5-3-2-4-6-12)13-8-9-14(17)15(18)11-13/h2-6,8-9,11,16,19H,7,10H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine?
1-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 107991975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).