N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide

C17H25BrN2O — CID 115999669

IUPACN-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide
SMILESCCN(C(=O)c1cc(C)cc(Br)c1)C1CCCCC1CN
InChIInChI=1S/C17H25BrN2O/c1-3-20(16-7-5-4-6-13(16)11-19)17(21)14-8-12(2)9-15(18)10-14/h8-10,13,16H,3-7,11,19H2,1-2H3
InChIKeySVSWRWGTVTWQPZ-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.74
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide

N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide (PubChem CID 115999669) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide
PubChem CID115999669
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide
SMILESCCN(C(=O)c1cc(C)cc(Br)c1)C1CCCCC1CN
InChIInChI=1S/C17H25BrN2O/c1-3-20(16-7-5-4-6-13(16)11-19)17(21)14-8-12(2)9-15(18)10-14/h8-10,13,16H,3-7,11,19H2,1-2H3
InChIKeySVSWRWGTVTWQPZ-UHFFFAOYSA-N
XLogP3.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
CID 81294148
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103120889
3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761
3-bromo-N-cyclopentyl-N,5-dimethylbenzamide
CID 104851892
N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107098226
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 47212500
2-(aminomethyl)-N-(3-bromo-5-methylphenyl)cyclohexane-1-carboxamide
CID 107583536
1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
CID 79153079
4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
CID 82789401
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 104852406

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide (CID 115999669) is N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide is CCN(C(=O)c1cc(C)cc(Br)c1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide?
The InChIKey is SVSWRWGTVTWQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-20(16-7-5-4-6-13(16)11-19)17(21)14-8-12(2)9-15(18)10-14/h8-10,13,16H,3-7,11,19H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide?
N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide has a molecular weight of 353.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide is sourced from PubChem (CID 115999669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).