1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine

C16H17F2N — CID 61033126

IUPAC1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C16H17F2N/c1-3-16(19-2)12-6-4-5-11(9-12)14-8-7-13(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyNZJJNNDQJHULJO-UHFFFAOYSA-N
MW261.31 g/mol
LogP4.30
Rot. Bonds4

About 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine

1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 61033126) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
PubChem CID61033126
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cccc(-c2ccc(F)cc2F)c1
InChIInChI=1S/C16H17F2N/c1-3-16(19-2)12-6-4-5-11(9-12)14-8-7-13(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3
InChIKeyNZJJNNDQJHULJO-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2,4-difluorophenyl)phenyl]-N-methylethanamine
CID 61034414
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
N-methyl-1-(3-phenylphenyl)propan-1-amine
CID 54912079
N-methyl-1-[3-(2,4,5-trimethylphenyl)phenyl]propan-1-amine
CID 64984941
1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424857
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]-N-methylpropan-1-amine
CID 61033554
N-methyl-1-[3-(2-methylthiophen-3-yl)phenyl]propan-1-amine
CID 102834501
N-methyl-1-[3-(4-methyl-3-pyridinyl)phenyl]propan-1-amine
CID 66271239
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 55097922
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
CID 79735816

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine (CID 61033126) is 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1cccc(-c2ccc(F)cc2F)c1.
What is the InChIKey of 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is NZJJNNDQJHULJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-16(19-2)12-6-4-5-11(9-12)14-8-7-13(17)10-15(14)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine?
1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 61033126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).