(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride

C11H15ClF3N — CID 171248131

IUPAC(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc(F)cc(F)c1F.Cl
InChIInChI=1S/C11H14F3N.ClH/c1-11(2,3)10(15)7-4-6(12)5-8(13)9(7)14;/h4-5,10H,15H2,1-3H3;1H/t10-;/m0./s1
InChIKeyYHIZRKNKKDQDMO-PPHPATTJSA-N
MW253.70 g/mol
LogP3.57
Rot. Bonds1

About (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride

(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride (PubChem CID 171248131) has the molecular formula C11H15ClF3N and a molecular weight of 253.70 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
PubChem CID171248131
Molecular FormulaC11H15ClF3N
Molecular Weight253.70 g/mol
Exact Mass253.08
IUPAC Name(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc(F)cc(F)c1F.Cl
InChIInChI=1S/C11H14F3N.ClH/c1-11(2,3)10(15)7-4-6(12)5-8(13)9(7)14;/h4-5,10H,15H2,1-3H3;1H/t10-;/m0./s1
InChIKeyYHIZRKNKKDQDMO-PPHPATTJSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.57
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

(1S)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine
CID 131505705
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
methyl (2R)-2-amino-2-(2,3,5-trifluorophenyl)acetate;hydrochloride
CID 171224868
(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
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
(1S)-3,3-difluoro-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride
CID 171313036
(1R)-1-(5-fluoro-2-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130900597
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride (CID 171248131) is (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride is CC(C)(C)[C@@H](N)c1cc(F)cc(F)c1F.Cl.
What is the InChIKey of (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride?
The InChIKey is YHIZRKNKKDQDMO-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14F3N.ClH/c1-11(2,3)10(15)7-4-6(12)5-8(13)9(7)14;/h4-5,10H,15H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride?
(1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride has a molecular weight of 253.70 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(2,3,5-trifluorophenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171248131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).