1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride

C13H19ClN2O2 — CID 119706519

IUPAC1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9(15-12(16)13(14)7-8-13)10-3-5-11(17-2)6-4-10;/h3-6,9H,7-8,14H2,1-2H3,(H,15,16);1H
InChIKeyAKKZNNPSTYVJDN-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.79
Rot. Bonds4

About 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119706519) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119706519
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(C)NC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-9(15-12(16)13(14)7-8-13)10-3-5-11(17-2)6-4-10;/h3-6,9H,7-8,14H2,1-2H3,(H,15,16);1H
InChIKeyAKKZNNPSTYVJDN-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 81368673
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748696
1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 81359922
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281
1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197186
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (CID 119706519) is 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is COc1ccc(C(C)NC(=O)C2(N)CC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is AKKZNNPSTYVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-9(15-12(16)13(14)7-8-13)10-3-5-11(17-2)6-4-10;/h3-6,9H,7-8,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119706519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).