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

C16H16ClF2N — CID 79439309

IUPAC3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1Cl)c1ccccc1F
InChIInChI=1S/C16H16ClF2N/c1-20-10-12(14-4-2-3-5-16(14)19)8-11-6-7-13(18)9-15(11)17/h2-7,9,12,20H,8,10H2,1H3
InChIKeyJHHZDARGRXDMJR-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.16
Rot. Bonds5

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

3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 79439309) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
PubChem CID79439309
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1Cl)c1ccccc1F
InChIInChI=1S/C16H16ClF2N/c1-20-10-12(14-4-2-3-5-16(14)19)8-11-6-7-13(18)9-15(11)17/h2-7,9,12,20H,8,10H2,1H3
InChIKeyJHHZDARGRXDMJR-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-chloro-1-[3-chloro-2-(2-fluorophenyl)propyl]-4-fluorobenzene
CID 79454612
3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440147
3-(3-chloro-4-pyridinyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439464
2-(2-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 79439531
3-(2-chloro-4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416930
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
3-(2-bromo-4-fluorophenyl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79448852
2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 63987777
2-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-1-amine
CID 106869613
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 114858886
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine (CID 79439309) is 3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(F)cc1Cl)c1ccccc1F.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is JHHZDARGRXDMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-20-10-12(14-4-2-3-5-16(14)19)8-11-6-7-13(18)9-15(11)17/h2-7,9,12,20H,8,10H2,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine?
3-(2-chloro-4-fluorophenyl)-2-(2-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-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79439309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).