1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine

C17H19F2N — CID 62196246

IUPAC1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
SMILESCNC(CCc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N/c1-20-16(10-7-13-5-3-2-4-6-13)11-14-8-9-15(18)12-17(14)19/h2-6,8-9,12,16,20H,7,10-11H2,1H3
InChIKeyYWFRZDSUYNMPCD-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.73
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine

1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine (PubChem CID 62196246) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
PubChem CID62196246
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
SMILESCNC(CCc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C17H19F2N/c1-20-16(10-7-13-5-3-2-4-6-13)11-14-8-9-15(18)12-17(14)19/h2-6,8-9,12,16,20H,7,10-11H2,1H3
InChIKeyYWFRZDSUYNMPCD-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-methyl-5-phenylpentan-2-amine
CID 105137092
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010345
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105117577
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757
[1-(2,4-difluorophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195329
1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932067
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
1-(2-chloro-4-fluorophenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105133367
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine (CID 62196246) is 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine is CNC(CCc1ccccc1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine?
The InChIKey is YWFRZDSUYNMPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-20-16(10-7-13-5-3-2-4-6-13)11-14-8-9-15(18)12-17(14)19/h2-6,8-9,12,16,20H,7,10-11H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine?
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine is sourced from PubChem (CID 62196246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).