N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide

C12H16N2O — CID 62952159

IUPACN-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESNCc1ccccc1CNC(=O)C1CC1
InChIInChI=1S/C12H16N2O/c13-7-10-3-1-2-4-11(10)8-14-12(15)9-5-6-9/h1-4,9H,5-8,13H2,(H,14,15)
InChIKeyWHXOTEPMAIPLOV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.17
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide

N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide (PubChem CID 62952159) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
PubChem CID62952159
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESNCc1ccccc1CNC(=O)C1CC1
InChIInChI=1S/C12H16N2O/c13-7-10-3-1-2-4-11(10)8-14-12(15)9-5-6-9/h1-4,9H,5-8,13H2,(H,14,15)
InChIKeyWHXOTEPMAIPLOV-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
2-[2-[[(4-aminocyclohexanecarbonyl)amino]methyl]phenyl]acetic acid
CID 81313103
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 79526884
N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
[2-(aminomethyl)phenyl]methylurea
CID 62949906
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[[2-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211716
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551256
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 66010662
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide (CID 62952159) is N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide is NCc1ccccc1CNC(=O)C1CC1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is WHXOTEPMAIPLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-7-10-3-1-2-4-11(10)8-14-12(15)9-5-6-9/h1-4,9H,5-8,13H2,(H,14,15).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide?
N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 62952159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).