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

C16H17F2N — CID 79421165

IUPAC3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(CN)Cc1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-11-4-2-3-5-15(11)13(10-19)8-12-6-7-14(17)9-16(12)18/h2-7,9,13H,8,10,19H2,1H3
InChIKeyJYBUMQRFPQRHAW-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.56
Rot. Bonds4

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

3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine (PubChem CID 79421165) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
PubChem CID79421165
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1C(CN)Cc1ccc(F)cc1F
InChIInChI=1S/C16H17F2N/c1-11-4-2-3-5-15(11)13(10-19)8-12-6-7-14(17)9-16(12)18/h2-7,9,13H,8,10,19H2,1H3
InChIKeyJYBUMQRFPQRHAW-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

(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 165410235
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 107982860
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81479380
2-bromo-1-[3-chloro-2-(2-methylphenyl)propyl]-4-fluorobenzene
CID 79419241
3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 79418016
2-(2,4-dimethylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83972876
1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
CID 79454466
2-(4-chlorophenyl)-3-(2,4-difluorophenyl)propan-1-amine
CID 79442407
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
2-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114348931

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine (CID 79421165) is 3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine is Cc1ccccc1C(CN)Cc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine?
The InChIKey is JYBUMQRFPQRHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-4-2-3-5-15(11)13(10-19)8-12-6-7-14(17)9-16(12)18/h2-7,9,13H,8,10,19H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine?
3-(2,4-difluorophenyl)-2-(2-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 3-(2,4-difluorophenyl)-2-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 79421165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).