N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide

C12H16N2O — CID 62970436

IUPACN-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cccc(CN)c1
InChIInChI=1S/C12H16N2O/c1-14(12(15)10-5-6-10)11-4-2-3-9(7-11)8-13/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyPZYOBRRXKGWTMR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.52
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide

N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide (PubChem CID 62970436) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
PubChem CID62970436
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cccc(CN)c1
InChIInChI=1S/C12H16N2O/c1-14(12(15)10-5-6-10)11-4-2-3-9(7-11)8-13/h2-4,7,10H,5-6,8,13H2,1H3
InChIKeyPZYOBRRXKGWTMR-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)phenyl]-N,2-dimethyloxolane-3-carboxamide
CID 79751202
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
[3-(aminomethyl)phenyl]-methylcarbamothioic S-acid
CID 174643734
N-[3-(aminomethyl)phenyl]-N-methylpiperidine-1-carboxamide
CID 79155347
4-[(3-hydroxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107737513
2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 62969965
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-[3-(aminomethyl)phenyl]-N-methyldecanamide
CID 65447779
N-(3-bromophenyl)-N-methyl-4-(methylamino)cyclohexane-1-carboxamide
CID 115150649
N-[3-(aminomethyl)phenyl]-N-methyl-2-propan-2-yloxyacetamide
CID 112601744
4-[methyl-(3-methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674140
N-[3-(aminomethyl)phenyl]-N,2,3-trimethylbenzamide
CID 62970953

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide (CID 62970436) is N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide?
The InChIKey is PZYOBRRXKGWTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(12(15)10-5-6-10)11-4-2-3-9(7-11)8-13/h2-4,7,10H,5-6,8,13H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide?
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 62970436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).