3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol

C13H17F2NO — CID 82930621

IUPAC3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1ccc(F)c(F)c1)CC1CC(O)C1
InChIInChI=1S/C13H17F2NO/c1-16(8-10-4-11(17)5-10)7-9-2-3-12(14)13(15)6-9/h2-3,6,10-11,17H,4-5,7-8H2,1H3
InChIKeyRDVQFXBVYUKYBS-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.17
Rot. Bonds4

About 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol

3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol (PubChem CID 82930621) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
PubChem CID82930621
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1ccc(F)c(F)c1)CC1CC(O)C1
InChIInChI=1S/C13H17F2NO/c1-16(8-10-4-11(17)5-10)7-9-2-3-12(14)13(15)6-9/h2-3,6,10-11,17H,4-5,7-8H2,1H3
InChIKeyRDVQFXBVYUKYBS-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]phenyl]propanoic acid
CID 105346084
2-fluoro-4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 107694066
2-fluoro-4-[[methyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107692165
N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
CID 115226993
2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
CID 82925317
1-(3-bromocyclobutyl)-N-[(4-chlorophenyl)methyl]-N-methylmethanamine
CID 80689957
3-[5-fluoro-2-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]phenyl]prop-2-enoic acid
CID 77108499
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 115238418
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 77083300
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
methyl 4-[[cyclobutylmethyl(methyl)amino]methyl]-2-fluorobenzoate
CID 103749430
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 104870292

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol (CID 82930621) is 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol is CN(Cc1ccc(F)c(F)c1)CC1CC(O)C1.
What is the InChIKey of 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is RDVQFXBVYUKYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-16(8-10-4-11(17)5-10)7-9-2-3-12(14)13(15)6-9/h2-3,6,10-11,17H,4-5,7-8H2,1H3.
What are the key properties of 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol?
3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 241.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,4-difluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 82930621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).