1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide

C11H13BrN2O2 — CID 115453581

IUPAC1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Br)c2O)CC1
InChIInChI=1S/C11H13BrN2O2/c12-7-2-1-3-8(9(7)15)14-10(16)11(6-13)4-5-11/h1-3,15H,4-6,13H2,(H,14,16)
InChIKeyXTYHJIRFPFPAEA-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.83
Rot. Bonds3

About 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide (PubChem CID 115453581) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
PubChem CID115453581
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(Br)c2O)CC1
InChIInChI=1S/C11H13BrN2O2/c12-7-2-1-3-8(9(7)15)14-10(16)11(6-13)4-5-11/h1-3,15H,4-6,13H2,(H,14,16)
InChIKeyXTYHJIRFPFPAEA-UHFFFAOYSA-N
XLogP1.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
3-amino-N-(3-bromo-2-hydroxyphenyl)oxolane-3-carboxamide
CID 81499886
4-(aminomethyl)-N-(2-hydroxy-3-methylphenyl)oxane-4-carboxamide
CID 115439713
1-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 115452709
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
1-(aminomethyl)-N-(2-bromo-3-chlorophenyl)cyclohexane-1-carboxamide
CID 103479480
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-bromobenzoic acid
CID 107813532
1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 113312782
1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
CID 115435354
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide (CID 115453581) is 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide is NCC1(C(=O)Nc2cccc(Br)c2O)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is XTYHJIRFPFPAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-7-2-1-3-8(9(7)15)14-10(16)11(6-13)4-5-11/h1-3,15H,4-6,13H2,(H,14,16).
What are the key properties of 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115453581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).