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

C14H21ClN2O — CID 119789718

IUPAC1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cccc(C(C)NC(=O)C2(N)CC2)c1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-9-5-4-6-12(10(9)2)11(3)16-13(17)14(15)7-8-14;/h4-6,11H,7-8,15H2,1-3H3,(H,16,17);1H
InChIKeyNXDXUESHKCQAAY-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.39
Rot. Bonds3

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

1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119789718) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119789718
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCc1cccc(C(C)NC(=O)C2(N)CC2)c1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-9-5-4-6-12(10(9)2)11(3)16-13(17)14(15)7-8-14;/h4-6,11H,7-8,15H2,1-3H3,(H,16,17);1H
InChIKeyNXDXUESHKCQAAY-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119327113
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CID 115294658
4-amino-N-[(1S)-1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115295233
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051
1-amino-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 65465254
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119269431
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
1-[1-(2,3-dimethylphenyl)ethyl]-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 71925077
4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide
CID 119327103
1-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119737250

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride (CID 119789718) is 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is Cc1cccc(C(C)NC(=O)C2(N)CC2)c1C.Cl.
What is the InChIKey of 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is NXDXUESHKCQAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-9-5-4-6-12(10(9)2)11(3)16-13(17)14(15)7-8-14;/h4-6,11H,7-8,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119789718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).