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

C11H14F3N — CID 62548875

IUPAC1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCc1cccc(C(N)CC(F)(F)F)c1C
InChIInChI=1S/C11H14F3N/c1-7-4-3-5-9(8(7)2)10(15)6-11(12,13)14/h3-5,10H,6,15H2,1-2H3
InChIKeyXXBJRDMXGZAKPQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.26
Rot. Bonds2

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

1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 62548875) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID62548875
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
SMILESCc1cccc(C(N)CC(F)(F)F)c1C
InChIInChI=1S/C11H14F3N/c1-7-4-3-5-9(8(7)2)10(15)6-11(12,13)14/h3-5,10H,6,15H2,1-2H3
InChIKeyXXBJRDMXGZAKPQ-UHFFFAOYSA-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

1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024239
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
(1S)-3,3,3-trifluoro-1-(3-methyl-2-pyridinyl)propan-1-amine
CID 130713891
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(1R)-1-(2,4-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 28500791
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine (CID 62548875) is 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine is Cc1cccc(C(N)CC(F)(F)F)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is XXBJRDMXGZAKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7-4-3-5-9(8(7)2)10(15)6-11(12,13)14/h3-5,10H,6,15H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine?
1-(2,3-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 1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 62548875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).