2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol

C13H19F2NO — CID 115524024

IUPAC2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-3-13(2,9-17)16-8-10-4-6-11(7-5-10)12(14)15/h4-7,12,16-17H,3,8-9H2,1-2H3
InChIKeyWWCMHKMIBIUPJY-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.87
Rot. Bonds6

About 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol

2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol (PubChem CID 115524024) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
PubChem CID115524024
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-3-13(2,9-17)16-8-10-4-6-11(7-5-10)12(14)15/h4-7,12,16-17H,3,8-9H2,1-2H3
InChIKeyWWCMHKMIBIUPJY-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 104709064
3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115524181
2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol
CID 66408555
2-[(3-chloro-4-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 81145012
2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 79810535
2,6-difluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol
CID 79832225
2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966511
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-methylbutan-1-ol
CID 64549119

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol (CID 115524024) is 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol is CCC(C)(CO)NCc1ccc(C(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol?
The InChIKey is WWCMHKMIBIUPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-13(2,9-17)16-8-10-4-6-11(7-5-10)12(14)15/h4-7,12,16-17H,3,8-9H2,1-2H3.
What are the key properties of 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol?
2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 115524024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).