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

C16H17F2N — CID 83975158

IUPAC2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H17F2N/c1-11-2-4-12(5-3-11)8-13(10-19)15-7-6-14(17)9-16(15)18/h2-7,9,13H,8,10,19H2,1H3
InChIKeyWWHLWWVLJIFJGN-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.56
Rot. Bonds4

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

2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 83975158) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
PubChem CID83975158
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H17F2N/c1-11-2-4-12(5-3-11)8-13(10-19)15-7-6-14(17)9-16(15)18/h2-7,9,13H,8,10,19H2,1H3
InChIKeyWWHLWWVLJIFJGN-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
CID 83975162
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
2-(2,4-difluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 112539034
2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 83975169
4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
CID 83975161
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
1-(2,5-difluorophenyl)-2-(4-methylphenyl)ethanol
CID 61099597
2-(2,4-difluorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 83975191
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine (CID 83975158) is 2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CC(CN)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is WWHLWWVLJIFJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-2-4-12(5-3-11)8-13(10-19)15-7-6-14(17)9-16(15)18/h2-7,9,13H,8,10,19H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine?
2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 83975158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).