2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol

C13H18F3NO — CID 141203013

IUPAC2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
SMILESCC(C)(CC(O)(CN)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H18F3NO/c1-11(2,10-6-4-3-5-7-10)8-12(18,9-17)13(14,15)16/h3-7,18H,8-9,17H2,1-2H3
InChIKeyVEJUDIBOWDJGMC-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.61
Rot. Bonds4

About 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol

2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol (PubChem CID 141203013) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
PubChem CID141203013
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
SMILESCC(C)(CC(O)(CN)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H18F3NO/c1-11(2,10-6-4-3-5-7-10)8-12(18,9-17)13(14,15)16/h3-7,18H,8-9,17H2,1-2H3
InChIKeyVEJUDIBOWDJGMC-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-1,1,1-trifluoro-2-phenylpropan-2-ol
CID 21024138
1-Amino-2-(4-fluorophenyl)propan-2-ol
CID 24271637
1-Amino-2-(3-fluorophenyl)propan-2-ol
CID 62774359
3-(Aminomethyl)-3-phenyl-1-(trifluoromethyl)cyclobutan-1-ol hydrochloride
CID 132344007
3-Amino-2-methyl-1,1-diphenylpropan-2-ol;hydrochloride
CID 90674805
(E)-4-amino-1,1,1-trifluoro-2-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)butan-2-ol
CID 57766577
3-Amino-1,1,1-trifluoro-2-phenylpropan-2-ol hydrochloride
CID 47003261
1-Amino-2-(2,4-difluorophenyl)propan-2-ol hydrochloride
CID 54593269
4-Amino-2-methyl-1-phenylbutan-2-ol
CID 65985484
(S)-1,1,1-Trifluoro-2-phenyl-3-amino-2-propanol
CID 51650178
4-(1-Amino-2-phenylethyl)hepta-1,6-dien-4-ol
CID 3138071
2-(Aminomethyl)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methylpentan-2-ol
CID 17935623

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The IUPAC name of 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol (CID 141203013) is 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The canonical SMILES for 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol is CC(C)(CC(O)(CN)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
The InChIKey is VEJUDIBOWDJGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-11(2,10-6-4-3-5-7-10)8-12(18,9-17)13(14,15)16/h3-7,18H,8-9,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol?
2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol has a molecular weight of 261.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol is sourced from PubChem (CID 141203013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).