2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine

C17H20FN — CID 114833811

IUPAC2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FN/c1-12-4-9-16(13(2)10-12)17(3,19)11-14-5-7-15(18)8-6-14/h4-10H,11,19H2,1-3H3
InChIKeyZIXAZVLZRSRGBW-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.86
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine

2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine (PubChem CID 114833811) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine
PubChem CID114833811
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FN/c1-12-4-9-16(13(2)10-12)17(3,19)11-14-5-7-15(18)8-6-14/h4-10H,11,19H2,1-3H3
InChIKeyZIXAZVLZRSRGBW-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833839
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
1-(2,4-dimethylphenyl)-1-(4-fluorophenyl)ethanamine
CID 62802677
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 55186203
2-(2-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 54919515
4-amino-4-(2,4-dimethylphenyl)pentan-1-ol
CID 116861683
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 106761676
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
1-(2,4-dimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839374

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine (CID 114833811) is 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine is Cc1ccc(C(C)(N)Cc2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is ZIXAZVLZRSRGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-4-9-16(13(2)10-12)17(3,19)11-14-5-7-15(18)8-6-14/h4-10H,11,19H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine?
2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 114833811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).