1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide

C12H15ClN2O — CID 115182580

IUPAC1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CN)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-15(10-4-2-9(13)3-5-10)11(16)12(8-14)6-7-12/h2-5H,6-8,14H2,1H3
InChIKeyRTXLKQQYZRYSSM-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.04
Rot. Bonds3

About 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115182580) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID115182580
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CN)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O/c1-15(10-4-2-9(13)3-5-10)11(16)12(8-14)6-7-12/h2-5H,6-8,14H2,1H3
InChIKeyRTXLKQQYZRYSSM-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
4-(aminomethyl)-N-(4-tert-butylphenyl)-N-methyloxane-4-carboxamide
CID 120927474
4-(aminomethyl)-N-methyl-N-phenyloxane-4-carboxamide;hydrochloride
CID 120916942
1-(aminomethyl)-N-(4-cyanophenyl)-N,4-dimethylcyclohexane-1-carboxamide
CID 115442115
1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182616
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
1-(aminomethyl)-N-(1,3-benzoxazol-6-yl)-N-methylcyclopropane-1-carboxamide
CID 115182634
1-(aminomethyl)-N-(3,5-dimethylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119943411
1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide
CID 115183508
N-methyl-1-(methylaminomethyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 115182934

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide (CID 115182580) is 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(CN)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is RTXLKQQYZRYSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-15(10-4-2-9(13)3-5-10)11(16)12(8-14)6-7-12/h2-5H,6-8,14H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115182580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).