2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol

C13H18F3NO — CID 79411718

IUPAC2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCC(CN)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-2-5-9(8-17)12(18)10-6-3-4-7-11(10)13(14,15)16/h3-4,6-7,9,12,18H,2,5,8,17H2,1H3
InChIKeyNMDUIRJOBVNFAL-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.11
Rot. Bonds5

About 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol

2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol (PubChem CID 79411718) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol
PubChem CID79411718
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol
SMILESCCCC(CN)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-2-5-9(8-17)12(18)10-6-3-4-7-11(10)13(14,15)16/h3-4,6-7,9,12,18H,2,5,8,17H2,1H3
InChIKeyNMDUIRJOBVNFAL-UHFFFAOYSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-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

(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-(aminomethyl)-1-(3-bromo-2-fluorophenyl)pentan-1-ol
CID 107955051
ethyl 2,3-dihydroxy-3-[2-(trifluoromethyl)phenyl]propanoate
CID 171866347
ethyl 2-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]butanoate
CID 62394555
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
1-[2-(trifluoromethyl)phenyl]nonan-1-ol
CID 65148219
2-[2-(trifluoromethyl)phenyl]heptane-1,3-diamine
CID 20848457
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995
2-(aminomethyl)-1-(furan-2-yl)pentan-1-ol
CID 79412972
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 103459409
2-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]butan-1-ol
CID 107333682

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol (CID 79411718) is 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol is CCCC(CN)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol?
The InChIKey is NMDUIRJOBVNFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-2-5-9(8-17)12(18)10-6-3-4-7-11(10)13(14,15)16/h3-4,6-7,9,12,18H,2,5,8,17H2,1H3.
What are the key properties of 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol?
2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol has a molecular weight of 261.29 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-[2-(trifluoromethyl)phenyl]pentan-1-ol is sourced from PubChem (CID 79411718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).