4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol

C16H24F3NO — CID 107151412

IUPAC4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H24F3NO/c1-15(2,3)9-13(21)11-20-14(10-16(17,18)19)12-7-5-4-6-8-12/h4-8,13-14,20-21H,9-11H2,1-3H3
InChIKeyBYVNRLLFEAMDEO-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.07
Rot. Bonds6

About 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol

4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol (PubChem CID 107151412) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
PubChem CID107151412
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H24F3NO/c1-15(2,3)9-13(21)11-20-14(10-16(17,18)19)12-7-5-4-6-8-12/h4-8,13-14,20-21H,9-11H2,1-3H3
InChIKeyBYVNRLLFEAMDEO-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
CID 106434786
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine
CID 43788256
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151396
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylacetate
CID 103952051
3-[(3,3-dimethyl-1-phenylbutyl)amino]-2-methylpropanenitrile
CID 62648165

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol (CID 107151412) is 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol is CC(C)(C)CC(O)CNC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol?
The InChIKey is BYVNRLLFEAMDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-15(2,3)9-13(21)11-20-14(10-16(17,18)19)12-7-5-4-6-8-12/h4-8,13-14,20-21H,9-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol?
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol has a molecular weight of 303.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol is sourced from PubChem (CID 107151412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).