4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol

C15H22F3NO2 — CID 106348987

IUPAC4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-14(2,3)13(8-9-20)19-10-11-6-4-5-7-12(11)21-15(16,17)18/h4-7,13,19-20H,8-10H2,1-3H3
InChIKeyQZFPWFYDJZHPEE-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.47
Rot. Bonds6

About 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol

4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol (PubChem CID 106348987) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
PubChem CID106348987
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-14(2,3)13(8-9-20)19-10-11-6-4-5-7-12(11)21-15(16,17)18/h4-7,13,19-20H,8-10H2,1-3H3
InChIKeyQZFPWFYDJZHPEE-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 111454167
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
4-fluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]phenol
CID 114176827
3-[(2,3-dichlorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 107093336
3-[(2,4-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 104666985
1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 82945948
3-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949915
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol (CID 106348987) is 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol is CC(C)(C)C(CCO)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol?
The InChIKey is QZFPWFYDJZHPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-14(2,3)13(8-9-20)19-10-11-6-4-5-7-12(11)21-15(16,17)18/h4-7,13,19-20H,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol?
4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol has a molecular weight of 305.34 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol is sourced from PubChem (CID 106348987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).