1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol

C14H20F3NO — CID 65190090

IUPAC1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
SMILESCC(C)(C)C(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,3)12(19)11(8-18)9-5-4-6-10(7-9)14(15,16)17/h4-7,11-12,19H,8,18H2,1-3H3
InChIKeyUROSJUMAOQFOKK-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.15
Rot. Bonds3

About 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol

1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol (PubChem CID 65190090) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol.

Molecular Properties

Compound Name1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
PubChem CID65190090
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
SMILESCC(C)(C)C(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-13(2,3)12(19)11(8-18)9-5-4-6-10(7-9)14(15,16)17/h4-7,11-12,19H,8,18H2,1-3H3
InChIKeyUROSJUMAOQFOKK-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 65190191
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CID 65190701
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
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CID 65190498
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2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
3-amino-1-(5-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190290
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
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2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol?
The IUPAC name of 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol (CID 65190090) is 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol.
What is the SMILES notation for 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol?
The canonical SMILES for 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol is CC(C)(C)C(O)C(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol?
The InChIKey is UROSJUMAOQFOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13(2,3)12(19)11(8-18)9-5-4-6-10(7-9)14(15,16)17/h4-7,11-12,19H,8,18H2,1-3H3.
What are the key properties of 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol?
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol has a molecular weight of 275.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol is sourced from PubChem (CID 65190090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).