2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol

C16H24F3NO — CID 66002862

IUPAC2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESCC(C)CNCCC(C)(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)11-20-9-8-15(3,21)10-13-4-6-14(7-5-13)16(17,18)19/h4-7,12,20-21H,8-11H2,1-3H3
InChIKeyQBBZNGUELNFPBO-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.63
Rot. Bonds7

About 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol

2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol (PubChem CID 66002862) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
PubChem CID66002862
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESCC(C)CNCCC(C)(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)11-20-9-8-15(3,21)10-13-4-6-14(7-5-13)16(17,18)19/h4-7,12,20-21H,8-11H2,1-3H3
InChIKeyQBBZNGUELNFPBO-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66000874
2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 63509368
1-(3-bromo-4-methoxyphenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001084
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
N'-methyl-N-(2-methylpropyl)-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62593658
1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001676
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
CID 66003057
1-(5-chlorothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002664
1-(5-bromothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002474
1-(3-bromo-2,6-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 106273662
2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 65147130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
The IUPAC name of 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol (CID 66002862) is 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol is CC(C)CNCCC(C)(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
The InChIKey is QBBZNGUELNFPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-12(2)11-20-9-8-15(3,21)10-13-4-6-14(7-5-13)16(17,18)19/h4-7,12,20-21H,8-11H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol?
2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol has a molecular weight of 303.37 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropylamino)-1-[4-(trifluoromethyl)phenyl]butan-2-ol is sourced from PubChem (CID 66002862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).