1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide

C12H15FN2O — CID 115453477

IUPAC1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C12H15FN2O/c1-8-4-9(13)6-10(5-8)15-11(16)12(7-14)2-3-12/h4-6H,2-3,7,14H2,1H3,(H,15,16)
InChIKeyOLOTUXUCHZGHAK-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.81
Rot. Bonds3

About 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 115453477) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
PubChem CID115453477
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(F)cc(NC(=O)C2(CN)CC2)c1
InChIInChI=1S/C12H15FN2O/c1-8-4-9(13)6-10(5-8)15-11(16)12(7-14)2-3-12/h4-6H,2-3,7,14H2,1H3,(H,15,16)
InChIKeyOLOTUXUCHZGHAK-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)-4-methylcyclohexane-1-carboxamide
CID 115442356
1-(aminomethyl)-N-(3,5-difluorophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441375
3-ethyl-N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79049943
1-carbamothioyl-N-(3-fluoro-5-methylphenyl)cyclohexane-1-carboxamide
CID 79049329
1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 115453437
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxane-4-carboxamide
CID 107574152
1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide
CID 80587408
1-(aminomethyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 80599055
N-(3-fluoro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79049706
1-(aminomethyl)-N-(3,5-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80588722
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide (CID 115453477) is 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide is Cc1cc(F)cc(NC(=O)C2(CN)CC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is OLOTUXUCHZGHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-4-9(13)6-10(5-8)15-11(16)12(7-14)2-3-12/h4-6H,2-3,7,14H2,1H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115453477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).