1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride

C13H19ClN2O2 — CID 119711038

IUPAC1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1cccc(CCNC(=O)C2(N)CC2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-11-4-2-3-10(9-11)5-8-15-12(16)13(14)6-7-13;/h2-4,9H,5-8,14H2,1H3,(H,15,16);1H
InChIKeyWNGJFMRYMFSHCJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.27
Rot. Bonds5

About 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119711038) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119711038
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1cccc(CCNC(=O)C2(N)CC2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-11-4-2-3-10(9-11)5-8-15-12(16)13(14)6-7-13;/h2-4,9H,5-8,14H2,1H3,(H,15,16);1H
InChIKeyWNGJFMRYMFSHCJ-UHFFFAOYSA-N
XLogP1.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (CID 119711038) is 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is COc1cccc(CCNC(=O)C2(N)CC2)c1.Cl.
What is the InChIKey of 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WNGJFMRYMFSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-17-11-4-2-3-10(9-11)5-8-15-12(16)13(14)6-7-13;/h2-4,9H,5-8,14H2,1H3,(H,15,16);1H.
What are the key properties of 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119711038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).