1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine

C17H19F2N — CID 115802634

IUPAC1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C)c(CC(N)Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H19F2N/c1-11-3-4-12(2)14(7-11)10-15(20)8-13-5-6-16(18)17(19)9-13/h3-7,9,15H,8,10,20H2,1-2H3
InChIKeyYGCFNNWMHVUPHW-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.69
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine

1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine (PubChem CID 115802634) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
PubChem CID115802634
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C)c(CC(N)Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H19F2N/c1-11-3-4-12(2)14(7-11)10-15(20)8-13-5-6-16(18)17(19)9-13/h3-7,9,15H,8,10,20H2,1-2H3
InChIKeyYGCFNNWMHVUPHW-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 105051169
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115839839
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046
1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105032555
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
1-(3,4-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 62899800
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(2-bromo-4-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 115843232
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine (CID 115802634) is 1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine is Cc1ccc(C)c(CC(N)Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine?
The InChIKey is YGCFNNWMHVUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11-3-4-12(2)14(7-11)10-15(20)8-13-5-6-16(18)17(19)9-13/h3-7,9,15H,8,10,20H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine?
1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 3.69, 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-(2,5-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 115802634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).