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

C14H21F2NO — CID 104709064

IUPAC3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-13(2,14(3,4)18)17-9-10-5-7-11(8-6-10)12(15)16/h5-8,12,17-18H,9H2,1-4H3
InChIKeyMCTSBQLDEFONDJ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.26
Rot. Bonds5

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

3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 104709064) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
PubChem CID104709064
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-13(2,14(3,4)18)17-9-10-5-7-11(8-6-10)12(15)16/h5-8,12,17-18H,9H2,1-4H3
InChIKeyMCTSBQLDEFONDJ-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
CID 115524024
2,3-dimethyl-3-(pyridin-4-ylmethylamino)butan-2-ol
CID 103911941
4-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]benzonitrile
CID 103911853
3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 106185527
2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966511
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115524181
3-[(3,4-dichlorophenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 103911833
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
CID 115523457
N-[[4-(difluoromethyl)phenyl]methyl]-2-methyl-2-phenylpropan-1-amine
CID 115523845

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol (CID 104709064) is 3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCc1ccc(C(F)F)cc1.
What is the InChIKey of 3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is MCTSBQLDEFONDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-13(2,14(3,4)18)17-9-10-5-7-11(8-6-10)12(15)16/h5-8,12,17-18H,9H2,1-4H3.
What are the key properties of 3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol?
3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 257.32 g/mol, XLogP of 3.26, 5 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]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 104709064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).