2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol

C10H12F3NO — CID 130021958

IUPAC2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(N)(CO)C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-7-3-2-4-8(5-7)9(14,6-15)10(11,12)13/h2-5,15H,6,14H2,1H3
InChIKeyCKCJSHRZNIHNEO-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.70
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol

2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol (PubChem CID 130021958) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
PubChem CID130021958
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(C(N)(CO)C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-7-3-2-4-8(5-7)9(14,6-15)10(11,12)13/h2-5,15H,6,14H2,1H3
InChIKeyCKCJSHRZNIHNEO-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
CID 84735272
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
1-[3,5-diethyl-4,4-difluoro-5-(3-methylphenyl)heptan-3-yl]-3-methylbenzene
CID 137435813
4,4-difluoro-4-(3-methylphenyl)butan-2-one
CID 105451355
2-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 58543608
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol (CID 130021958) is 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol is Cc1cccc(C(N)(CO)C(F)(F)F)c1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol?
The InChIKey is CKCJSHRZNIHNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-7-3-2-4-8(5-7)9(14,6-15)10(11,12)13/h2-5,15H,6,14H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol?
2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol has a molecular weight of 219.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 130021958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).