1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride

C13H18ClF2N — CID 115680411

IUPAC1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
SMILESCC1(CNCc2c(F)cccc2F)CCC1.Cl
InChIInChI=1S/C13H17F2N.ClH/c1-13(6-3-7-13)9-16-8-10-11(14)4-2-5-12(10)15;/h2,4-5,16H,3,6-9H2,1H3;1H
InChIKeyOFOKBHYTESKGNP-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.67
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride

1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride (PubChem CID 115680411) has the molecular formula C13H18ClF2N and a molecular weight of 261.74 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
PubChem CID115680411
Molecular FormulaC13H18ClF2N
Molecular Weight261.74 g/mol
Exact Mass261.11
IUPAC Name1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
SMILESCC1(CNCc2c(F)cccc2F)CCC1.Cl
InChIInChI=1S/C13H17F2N.ClH/c1-13(6-3-7-13)9-16-8-10-11(14)4-2-5-12(10)15;/h2,4-5,16H,3,6-9H2,1H3;1H
InChIKeyOFOKBHYTESKGNP-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride 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

1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991997
1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820897
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114165735
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 114165676
[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478439
3-chloro-2-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735921
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
1-(2-chloro-6-methoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735799
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride (CID 115680411) is 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride is CC1(CNCc2c(F)cccc2F)CCC1.Cl.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride?
The InChIKey is OFOKBHYTESKGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N.ClH/c1-13(6-3-7-13)9-16-8-10-11(14)4-2-5-12(10)15;/h2,4-5,16H,3,6-9H2,1H3;1H.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride?
1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride has a molecular weight of 261.74 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 115680411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).