2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine

C16H16ClF2N — CID 79441418

IUPAC2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2N/c1-20-10-13(11-2-4-14(17)5-3-11)8-12-9-15(18)6-7-16(12)19/h2-7,9,13,20H,8,10H2,1H3
InChIKeyQVBTXTYIVGFVAD-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.16
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine

2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine (PubChem CID 79441418) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
PubChem CID79441418
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(F)ccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2N/c1-20-10-13(11-2-4-14(17)5-3-11)8-12-9-15(18)6-7-16(12)19/h2-7,9,13,20H,8,10H2,1H3
InChIKeyQVBTXTYIVGFVAD-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-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 103049776
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
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-(2,5-difluorophenyl)propan-1-amine
CID 79441820
2-[(4-chlorophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516086
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79443064
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
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
2-[(2,5-difluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515213
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine (CID 79441418) is 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1cc(F)ccc1F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine?
The InChIKey is QVBTXTYIVGFVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-20-10-13(11-2-4-14(17)5-3-11)8-12-9-15(18)6-7-16(12)19/h2-7,9,13,20H,8,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine?
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-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 2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79441418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).