4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide

C15H21BrN2O — CID 79527030

IUPAC4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H21BrN2O/c1-10-2-7-13(16)8-14(10)18-15(19)12-5-3-11(9-17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3,(H,18,19)
InChIKeyYWYQYKZXQYCZQA-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.46
Rot. Bonds3

About 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 79527030) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
PubChem CID79527030
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H21BrN2O/c1-10-2-7-13(16)8-14(10)18-15(19)12-5-3-11(9-17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3,(H,18,19)
InChIKeyYWYQYKZXQYCZQA-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide (CID 79527030) is 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(Br)cc1NC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is YWYQYKZXQYCZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-2-7-13(16)8-14(10)18-15(19)12-5-3-11(9-17)4-6-12/h2,7-8,11-12H,3-6,9,17H2,1H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5-bromo-2-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79527030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).