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

C16H16ClF2N — CID 79440147

IUPAC3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C16H16ClF2N/c1-20-10-13(11-3-2-4-14(18)8-11)7-12-5-6-15(19)9-16(12)17/h2-6,8-9,13,20H,7,10H2,1H3
InChIKeyGWBLMWOYOXXCOM-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.16
Rot. Bonds5

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

3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 79440147) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID79440147
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C16H16ClF2N/c1-20-10-13(11-3-2-4-14(18)8-11)7-12-5-6-15(19)9-16(12)17/h2-6,8-9,13,20H,7,10H2,1H3
InChIKeyGWBLMWOYOXXCOM-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

3-(2-chloro-4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416930
3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439309
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835
1-[3-bromo-2-(3-fluorophenyl)propyl]-2-chloro-4-methylbenzene
CID 106870715
3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
2-(3-chlorophenyl)-3-(2,4-difluorophenyl)-N-ethylpropan-1-amine
CID 79433435
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine (CID 79440147) is 3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(F)cc1Cl)c1cccc(F)c1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is GWBLMWOYOXXCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-20-10-13(11-3-2-4-14(18)8-11)7-12-5-6-15(19)9-16(12)17/h2-6,8-9,13,20H,7,10H2,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine?
3-(2-chloro-4-fluorophenyl)-2-(3-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-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79440147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).