(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine

C11H14F3N — CID 131505705

IUPAC(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
SMILESCC(C)(C)[C@H](N)c1cc(F)cc(F)c1F
InChIInChI=1S/C11H14F3N/c1-11(2,3)10(15)7-4-6(12)5-8(13)9(7)14/h4-5,10H,15H2,1-3H3/t10-/m1/s1
InChIKeyGVUZQRIUCMTCAQ-SNVBAGLBSA-N
MW217.23 g/mol
LogP3.15
Rot. Bonds1

About (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine

(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine (PubChem CID 131505705) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
PubChem CID131505705
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
SMILESCC(C)(C)[C@H](N)c1cc(F)cc(F)c1F
InChIInChI=1S/C11H14F3N/c1-11(2,3)10(15)7-4-6(12)5-8(13)9(7)14/h4-5,10H,15H2,1-3H3/t10-/m1/s1
InChIKeyGVUZQRIUCMTCAQ-SNVBAGLBSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171248131
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(3R)-3-amino-2,2-difluoro-3-(2,3,5-trifluorophenyl)propan-1-ol
CID 131611321
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 130612107
(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 131081639
2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
CID 130597949
1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225
methyl (2R)-2-amino-2-(2,3,5-trifluorophenyl)acetate;hydrochloride
CID 171224868
(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130900597
2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4,6-difluoroaniline
CID 66511440

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine (CID 131505705) is (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine is CC(C)(C)[C@H](N)c1cc(F)cc(F)c1F.
What is the InChIKey of (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine?
The InChIKey is GVUZQRIUCMTCAQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F3N/c1-11(2,3)10(15)7-4-6(12)5-8(13)9(7)14/h4-5,10H,15H2,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine?
(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 131505705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).