1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide

C13H17ClN2O2 — CID 115182589

IUPAC1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(CN)CC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-16(12(17)13(8-15)5-6-13)9-3-4-11(18-2)10(14)7-9/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyKJHNIAGENGBVCI-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.05
Rot. Bonds4

About 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115182589) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID115182589
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(CN)CC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-16(12(17)13(8-15)5-6-13)9-3-4-11(18-2)10(14)7-9/h3-4,7H,5-6,8,15H2,1-2H3
InChIKeyKJHNIAGENGBVCI-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600
1-(aminomethyl)-N-(5-ethyl-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182612
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183989
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183487
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
[1-(aminomethyl)cyclopropyl]-(5-chloro-2-methoxyphenyl)methanone
CID 116601328
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide (CID 115182589) is 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide is COc1ccc(N(C)C(=O)C2(CN)CC2)cc1Cl.
What is the InChIKey of 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is KJHNIAGENGBVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(12(17)13(8-15)5-6-13)9-3-4-11(18-2)10(14)7-9/h3-4,7H,5-6,8,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115182589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).