1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine

C13H17ClFN — CID 102864397

IUPAC1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFN/c1-16-8-11-6-5-9(11)7-10-3-2-4-12(14)13(10)15/h2-4,9,11,16H,5-8H2,1H3
InChIKeyFMDGJTPKELMXGI-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.27
Rot. Bonds4

About 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine

1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine (PubChem CID 102864397) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
PubChem CID102864397
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H17ClFN/c1-16-8-11-6-5-9(11)7-10-3-2-4-12(14)13(10)15/h2-4,9,11,16H,5-8H2,1H3
InChIKeyFMDGJTPKELMXGI-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102864464
N-[[2-[(3-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102864466
1-[2-[(2,3-dichlorophenyl)methyl]-4-ethylcyclohexyl]-N-methylmethanamine
CID 107311092
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
N-methyl-1-[2-[[2-(trifluoromethyl)phenyl]methyl]cyclobutyl]methanamine
CID 112739507
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114488832
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547
3-[(3-chloro-2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102862060
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
2-[(3-chloro-2-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 102856558
3-chloro-4-[(3-chloro-2-fluorophenyl)methyl]thiolane
CID 102858343

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine (CID 102864397) is 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine is CNCC1CCC1Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The InChIKey is FMDGJTPKELMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-16-8-11-6-5-9(11)7-10-3-2-4-12(14)13(10)15/h2-4,9,11,16H,5-8H2,1H3.
What are the key properties of 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine has a molecular weight of 241.74 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 102864397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).