1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine

C13H17F2N — CID 81016867

IUPAC1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-16-8-11-3-2-9(11)6-10-4-5-12(14)7-13(10)15/h4-5,7,9,11,16H,2-3,6,8H2,1H3
InChIKeyVWHGBTFBFMCRCG-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.75
Rot. Bonds4

About 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine

1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine (PubChem CID 81016867) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
PubChem CID81016867
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2N/c1-16-8-11-3-2-9(11)6-10-4-5-12(14)7-13(10)15/h4-5,7,9,11,16H,2-3,6,8H2,1H3
InChIKeyVWHGBTFBFMCRCG-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017187
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
1-[2-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81033459
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 64908376
1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81031224
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
1-[2-[(4-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032819
3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64505887
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine (CID 81016867) is 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine is CNCC1CCC1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The InChIKey is VWHGBTFBFMCRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-16-8-11-3-2-9(11)6-10-4-5-12(14)7-13(10)15/h4-5,7,9,11,16H,2-3,6,8H2,1H3.
What are the key properties of 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine has a molecular weight of 225.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81016867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).