1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine

C16H16F3N — CID 105051169

IUPAC1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CC(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-10-6-13(17)4-3-12(10)9-14(20)7-11-2-5-15(18)16(19)8-11/h2-6,8,14H,7,9,20H2,1H3
InChIKeyMDXCVXHRQWZJCN-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.52
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine

1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine (PubChem CID 105051169) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
PubChem CID105051169
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
SMILESCc1cc(F)ccc1CC(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H16F3N/c1-10-6-13(17)4-3-12(10)9-14(20)7-11-2-5-15(18)16(19)8-11/h2-6,8,14H,7,9,20H2,1H3
InChIKeyMDXCVXHRQWZJCN-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
1-(4-fluoro-2-methylphenyl)-3-(4-fluorophenyl)propan-2-amine
CID 114347641
1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115843232
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115802634
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-2-amine
CID 114347770
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine (CID 105051169) is 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine is Cc1cc(F)ccc1CC(N)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine?
The InChIKey is MDXCVXHRQWZJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-10-6-13(17)4-3-12(10)9-14(20)7-11-2-5-15(18)16(19)8-11/h2-6,8,14H,7,9,20H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine?
1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine is sourced from PubChem (CID 105051169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).