1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide

C13H17BrN2O — CID 115190038

IUPAC1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCc1cccc(Br)c1)C(=O)C1(N)CC1
InChIInChI=1S/C13H17BrN2O/c1-16(12(17)13(15)6-7-13)8-5-10-3-2-4-11(14)9-10/h2-4,9H,5-8,15H2,1H3
InChIKeyLAABIZNCMXIQCZ-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.94
Rot. Bonds4

About 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide

1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 115190038) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
PubChem CID115190038
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(CCc1cccc(Br)c1)C(=O)C1(N)CC1
InChIInChI=1S/C13H17BrN2O/c1-16(12(17)13(15)6-7-13)8-5-10-3-2-4-11(14)9-10/h2-4,9H,5-8,15H2,1H3
InChIKeyLAABIZNCMXIQCZ-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
1-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115190032
1-amino-N-methyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 54871932
4-amino-N-[2-(3-bromophenyl)ethyl]-N,4-dimethylpentanamide
CID 115157634
3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64892163
1-amino-N-methyl-N-(4-phenylbutyl)cyclopropane-1-carboxamide
CID 65464465
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115180860
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide
CID 115153894
N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
N-[2-(3-bromophenyl)ethyl]-2-cyano-N-methylacetamide
CID 82134700
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide (CID 115190038) is 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide is CN(CCc1cccc(Br)c1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is LAABIZNCMXIQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-16(12(17)13(15)6-7-13)8-5-10-3-2-4-11(14)9-10/h2-4,9H,5-8,15H2,1H3.
What are the key properties of 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide?
1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3-bromophenyl)ethyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115190038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).