3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol

C13H19F2NO — CID 115524181

IUPAC3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCc1ccc(C(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-13(2,9-17)8-16-7-10-3-5-11(6-4-10)12(14)15/h3-6,12,16-17H,7-9H2,1-2H3
InChIKeyHDPMJPIBOUCTAC-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.73
Rot. Bonds6

About 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol

3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115524181) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
PubChem CID115524181
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCc1ccc(C(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-13(2,9-17)8-16-7-10-3-5-11(6-4-10)12(14)15/h3-6,12,16-17H,7-9H2,1-2H3
InChIKeyHDPMJPIBOUCTAC-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 115523400
N-[[4-(difluoromethyl)phenyl]methyl]-2,2-dimethylheptan-1-amine
CID 115524107
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
CID 115523845
2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
CID 115524024
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
CID 81414423
4,4-dimethyl-5-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 103897565
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 104709064
3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
CID 113328387
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 81411774
tert-butyl N-[4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]phenyl]carbamate
CID 107239514

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol (CID 115524181) is 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCc1ccc(C(F)F)cc1.
What is the InChIKey of 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is HDPMJPIBOUCTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-13(2,9-17)8-16-7-10-3-5-11(6-4-10)12(14)15/h3-6,12,16-17H,7-9H2,1-2H3.
What are the key properties of 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol?
3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115524181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).