2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine

C17H20F2N2 — CID 144927260

IUPAC2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine
SMILESCc1ccc(C(F)(F)C(CN)c2ccc(C)cc2C)nc1
InChIInChI=1S/C17H20F2N2/c1-11-4-6-14(13(3)8-11)15(9-20)17(18,19)16-7-5-12(2)10-21-16/h4-8,10,15H,9,20H2,1-3H3
InChIKeyHIHNDHBCCYRQJD-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.84
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine

2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine (PubChem CID 144927260) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine
PubChem CID144927260
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine
SMILESCc1ccc(C(F)(F)C(CN)c2ccc(C)cc2C)nc1
InChIInChI=1S/C17H20F2N2/c1-11-4-6-14(13(3)8-11)15(9-20)17(18,19)16-7-5-12(2)10-21-16/h4-8,10,15H,9,20H2,1-3H3
InChIKeyHIHNDHBCCYRQJD-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol
CID 144927672
3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane
CID 144927491
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol
CID 162596340
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
1-(2,4-dimethylphenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 116904924
3-amino-2-(2,4-dimethylphenyl)propanenitrile
CID 82503365
3,3,3-trifluoro-2-(3-methylphenyl)propan-1-amine
CID 79016159

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine (CID 144927260) is 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine is Cc1ccc(C(F)(F)C(CN)c2ccc(C)cc2C)nc1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine?
The InChIKey is HIHNDHBCCYRQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-11-4-6-14(13(3)8-11)15(9-20)17(18,19)16-7-5-12(2)10-21-16/h4-8,10,15H,9,20H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine?
2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine has a molecular weight of 290.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 144927260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).