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

C16H17F2N — CID 62196088

IUPAC1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c17-14-8-7-13(16(18)11-14)10-15(19)9-6-12-4-2-1-3-5-12/h1-5,7-8,11,15H,6,9-10,19H2
InChIKeyPJUAMPNLPFREQS-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.47
Rot. Bonds5

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

1-(2,4-difluorophenyl)-4-phenylbutan-2-amine (PubChem CID 62196088) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
PubChem CID62196088
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)Cc1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c17-14-8-7-13(16(18)11-14)10-15(19)9-6-12-4-2-1-3-5-12/h1-5,7-8,11,15H,6,9-10,19H2
InChIKeyPJUAMPNLPFREQS-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-5-phenylpentan-2-amine
CID 64559852
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
1,4-diphenylbutan-2-amine
CID 60820174
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
[1-(2,4-difluorophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195329
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(2-chloro-4-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 105133510

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-phenylbutan-2-amine (CID 62196088) is 1-(2,4-difluorophenyl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-phenylbutan-2-amine is NC(CCc1ccccc1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-phenylbutan-2-amine?
The InChIKey is PJUAMPNLPFREQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c17-14-8-7-13(16(18)11-14)10-15(19)9-6-12-4-2-1-3-5-12/h1-5,7-8,11,15H,6,9-10,19H2.
What are the key properties of 1-(2,4-difluorophenyl)-4-phenylbutan-2-amine?
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine has a molecular weight of 261.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 62196088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).