[4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol

C13H17F2NO — CID 110008967

IUPAC[4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CN(CC(F)F)C2CC2)cc1
InChIInChI=1S/C13H17F2NO/c14-13(15)8-16(12-5-6-12)7-10-1-3-11(9-17)4-2-10/h1-4,12-13,17H,5-9H2
InChIKeyMVGWOHMKDXXJID-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.41
Rot. Bonds6

About [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol

[4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol (PubChem CID 110008967) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol
PubChem CID110008967
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name[4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CN(CC(F)F)C2CC2)cc1
InChIInChI=1S/C13H17F2NO/c14-13(15)8-16(12-5-6-12)7-10-1-3-11(9-17)4-2-10/h1-4,12-13,17H,5-9H2
InChIKeyMVGWOHMKDXXJID-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
CID 110008215
3-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]benzoic acid
CID 122029039
N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 60733586
3-[[(4-hydroxycyclohexyl)-[[4-(hydroxymethyl)phenyl]methyl]amino]methyl]phenol
CID 110009067
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol
CID 139369069
4-[[cyclopropyl(2-methylpropyl)amino]methyl]benzoic acid;hydrochloride
CID 138805610
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111107126
2-amino-3-[benzyl(cyclopropyl)amino]propanamide
CID 131050094
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495

Frequently Asked Questions

What is the IUPAC name of [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol (CID 110008967) is [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol is OCc1ccc(CN(CC(F)F)C2CC2)cc1.
What is the InChIKey of [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol?
The InChIKey is MVGWOHMKDXXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)8-16(12-5-6-12)7-10-1-3-11(9-17)4-2-10/h1-4,12-13,17H,5-9H2.
What are the key properties of [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol?
[4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol has a molecular weight of 241.28 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[cyclopropyl(2,2-difluoroethyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 110008967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).