N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine

C13H18ClFN2 — CID 115245810

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine
SMILESNCC1(CNCc2cc(Cl)ccc2F)CCC1
InChIInChI=1S/C13H18ClFN2/c14-11-2-3-12(15)10(6-11)7-17-9-13(8-16)4-1-5-13/h2-3,6,17H,1,4-5,7-9,16H2
InChIKeyJYDFNUOFPDZLEE-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.70
Rot. Bonds5

About N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine

N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine (PubChem CID 115245810) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine
PubChem CID115245810
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine
SMILESNCC1(CNCc2cc(Cl)ccc2F)CCC1
InChIInChI=1S/C13H18ClFN2/c14-11-2-3-12(15)10(6-11)7-17-9-13(8-16)4-1-5-13/h2-3,6,17H,1,4-5,7-9,16H2
InChIKeyJYDFNUOFPDZLEE-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
CID 114107436
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(2,5-difluorophenyl)methanamine
CID 114757613
1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
CID 115263054
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
CID 65194915
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
1-(5-chloro-2-methoxyphenyl)-N-[[1-(chloromethyl)cyclopentyl]methyl]methanamine
CID 113294642
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
CID 115245915
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
[1-[(5-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 103051053

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine (CID 115245810) is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine is NCC1(CNCc2cc(Cl)ccc2F)CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine?
The InChIKey is JYDFNUOFPDZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c14-11-2-3-12(15)10(6-11)7-17-9-13(8-16)4-1-5-13/h2-3,6,17H,1,4-5,7-9,16H2.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine has a molecular weight of 256.75 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 115245810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).