N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride

C15H23ClN2O — CID 140529024

IUPACN-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride
SMILESCCc1ccc(NC(=O)C2CC2)c(CC)c1CN.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-10-7-8-14(12(4-2)13(10)9-16)17-15(18)11-5-6-11;/h7-8,11H,3-6,9,16H2,1-2H3,(H,17,18);1H
InChIKeyLMXXEQNFJHHHLK-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.04
Rot. Bonds5

About N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride

N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 140529024) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID140529024
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride
SMILESCCc1ccc(NC(=O)C2CC2)c(CC)c1CN.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-10-7-8-14(12(4-2)13(10)9-16)17-15(18)11-5-6-11;/h7-8,11H,3-6,9,16H2,1-2H3,(H,17,18);1H
InChIKeyLMXXEQNFJHHHLK-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide
CID 151325268
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
CID 171064344
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259679
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
N-(2-aminophenyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 91659324
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79526534
4-[(4-ethyl-3-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673196

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride (CID 140529024) is N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride is CCc1ccc(NC(=O)C2CC2)c(CC)c1CN.Cl.
What is the InChIKey of N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is LMXXEQNFJHHHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-3-10-7-8-14(12(4-2)13(10)9-16)17-15(18)11-5-6-11;/h7-8,11H,3-6,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride?
N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 140529024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).