1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine

C13H17F2NO — CID 43298345

IUPAC1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)Oc1ccccc1CNCC1CCC1
InChIInChI=1S/C13H17F2NO/c14-13(15)17-12-7-2-1-6-11(12)9-16-8-10-4-3-5-10/h1-2,6-7,10,13,16H,3-5,8-9H2
InChIKeyYVSRLZAPNBMSFF-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.18
Rot. Bonds6

About 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine

1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine (PubChem CID 43298345) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
PubChem CID43298345
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)Oc1ccccc1CNCC1CCC1
InChIInChI=1S/C13H17F2NO/c14-13(15)17-12-7-2-1-6-11(12)9-16-8-10-4-3-5-10/h1-2,6-7,10,13,16H,3-5,8-9H2
InChIKeyYVSRLZAPNBMSFF-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855904
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
3-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699790
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-cyclopentylmethanamine
CID 43432520
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 63277687
1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 63462925
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 78977855
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
2-[[2-(difluoromethoxy)phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850513

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine (CID 43298345) is 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine is FC(F)Oc1ccccc1CNCC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is YVSRLZAPNBMSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)17-12-7-2-1-6-11(12)9-16-8-10-4-3-5-10/h1-2,6-7,10,13,16H,3-5,8-9H2.
What are the key properties of 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine?
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 241.28 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 43298345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).