3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine

C16H16ClF2N — CID 103049776

IUPAC3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(Cl)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16ClF2N/c1-20-10-13(11-2-5-15(18)6-3-11)8-12-9-14(17)4-7-16(12)19/h2-7,9,13,20H,8,10H2,1H3
InChIKeyCERDJBZPIGCNNB-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.16
Rot. Bonds5

About 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine

3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 103049776) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID103049776
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(Cl)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C16H16ClF2N/c1-20-10-13(11-2-5-15(18)6-3-11)8-12-9-14(17)4-7-16(12)19/h2-7,9,13,20H,8,10H2,1H3
InChIKeyCERDJBZPIGCNNB-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
2-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049778
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 114933725
4-(5-chloro-2-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 103050463
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)propan-1-amine
CID 79441820

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine (CID 103049776) is 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1cc(Cl)ccc1F)c1ccc(F)cc1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is CERDJBZPIGCNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-20-10-13(11-2-5-15(18)6-3-11)8-12-9-14(17)4-7-16(12)19/h2-7,9,13,20H,8,10H2,1H3.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine?
3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 295.76 g/mol, XLogP of 4.16, 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)-2-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 103049776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).