N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride

C11H15ClN2O — CID 155822223

IUPACN-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C11H14N2O.ClH/c12-7-8-2-1-3-10(6-8)13-11(14)9-4-5-9;/h1-3,6,9H,4-5,7,12H2,(H,13,14);1H
InChIKeyUARQBOPVWURCNA-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.92
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride

N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 155822223) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID155822223
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C11H14N2O.ClH/c12-7-8-2-1-3-10(6-8)13-11(14)9-4-5-9;/h1-3,6,9H,4-5,7,12H2,(H,13,14);1H
InChIKeyUARQBOPVWURCNA-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[3-(4-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119282191
1-(aminomethyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]cyclopropane-1-carboxamide
CID 115453168
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
CID 47134978
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride (CID 155822223) is N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride is Cl.NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is UARQBOPVWURCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c12-7-8-2-1-3-10(6-8)13-11(14)9-4-5-9;/h1-3,6,9H,4-5,7,12H2,(H,13,14);1H.
What are the key properties of N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride?
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 155822223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).