1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide

C13H17BrN2O — CID 113312820

IUPAC1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1(CN)CC1
InChIInChI=1S/C13H17BrN2O/c1-16(12(17)13(9-15)6-7-13)8-10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3
InChIKeyLAUIFNDGFQOELW-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.15
Rot. Bonds4

About 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide

1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 113312820) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide
PubChem CID113312820
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1(CN)CC1
InChIInChI=1S/C13H17BrN2O/c1-16(12(17)13(9-15)6-7-13)8-10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3
InChIKeyLAUIFNDGFQOELW-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115452916
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 60630831
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 81487244
1-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 80587212
1-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115437487
1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide
CID 115183508
4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 120938284
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183079
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide (CID 113312820) is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide is CN(Cc1ccccc1Br)C(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is LAUIFNDGFQOELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-16(12(17)13(9-15)6-7-13)8-10-4-2-3-5-11(10)14/h2-5H,6-9,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide?
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 113312820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).