1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide

C14H19ClN2O2 — CID 115452729

IUPAC1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)C1(CN)CC1
InChIInChI=1S/C14H19ClN2O2/c1-17(13(18)14(10-16)6-7-14)8-9-19-12-4-2-11(15)3-5-12/h2-5H,6-10,16H2,1H3
InChIKeyRRGXMWJHTMXANT-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.92
Rot. Bonds6

About 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115452729) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115452729
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)C1(CN)CC1
InChIInChI=1S/C14H19ClN2O2/c1-17(13(18)14(10-16)6-7-14)8-9-19-12-4-2-11(15)3-5-12/h2-5H,6-10,16H2,1H3
InChIKeyRRGXMWJHTMXANT-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918678
1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119689145
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 81172510
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119683709
1-amino-N-[3-(4-chlorophenoxy)propyl]-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119739903
1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115448098
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
1-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173078

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide (CID 115452729) is 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is RRGXMWJHTMXANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(13(18)14(10-16)6-7-14)8-9-19-12-4-2-11(15)3-5-12/h2-5H,6-10,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115452729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).