1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide

C13H17FN2O2 — CID 80599519

IUPAC1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(F)c(NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C13H17FN2O2/c1-18-9-3-4-10(14)11(7-9)16-12(17)13(8-15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeyGPUIAMJBWCBELX-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.90
Rot. Bonds4

About 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide (PubChem CID 80599519) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
PubChem CID80599519
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(F)c(NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C13H17FN2O2/c1-18-9-3-4-10(14)11(7-9)16-12(17)13(8-15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeyGPUIAMJBWCBELX-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
1-carbamothioyl-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide
CID 80591492
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80588722
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
4-(aminomethyl)-N-(4-methoxy-2-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120922268
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160
1-(aminomethyl)-N-(2-fluoro-5-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 115452495
4-(aminomethyl)-N-(2,5-difluoro-4-methoxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120936327
chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390
1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447690
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide (CID 80599519) is 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide is COc1ccc(F)c(NC(=O)C2(CN)CCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide?
The InChIKey is GPUIAMJBWCBELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-9-3-4-10(14)11(7-9)16-12(17)13(8-15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80599519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).