(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine

C11H14F3N — CID 28500791

IUPAC(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCc1ccc([C@H](N)CC(F)(F)F)c(C)c1
InChIInChI=1S/C11H14F3N/c1-7-3-4-9(8(2)5-7)10(15)6-11(12,13)14/h3-5,10H,6,15H2,1-2H3/t10-/m1/s1
InChIKeyBEIPCBDJFIZGCC-SNVBAGLBSA-N
MW217.23 g/mol
LogP3.26
Rot. Bonds2

About (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine

(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 28500791) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID28500791
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCc1ccc([C@H](N)CC(F)(F)F)c(C)c1
InChIInChI=1S/C11H14F3N/c1-7-3-4-9(8(2)5-7)10(15)6-11(12,13)14/h3-5,10H,6,15H2,1-2H3/t10-/m1/s1
InChIKeyBEIPCBDJFIZGCC-SNVBAGLBSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S)-1-amino-3,3,3-trifluoropropyl]-5-methylphenol;hydrochloride
CID 171232014
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 62790723
(1R)-3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-amine
CID 103694276
1-(2,4-dimethylphenyl)-3,5,5-trimethylhexan-1-amine
CID 43138783
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855010

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine (CID 28500791) is (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine is Cc1ccc([C@H](N)CC(F)(F)F)c(C)c1.
What is the InChIKey of (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is BEIPCBDJFIZGCC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7-3-4-9(8(2)5-7)10(15)6-11(12,13)14/h3-5,10H,6,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 28500791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).