4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide

C16H24BrN3O — CID 82789401

IUPAC4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
SMILESCCN(c1ccc(C(N)=O)cc1Br)C1CCCCC1CN
InChIInChI=1S/C16H24BrN3O/c1-2-20(14-6-4-3-5-12(14)10-18)15-8-7-11(16(19)21)9-13(15)17/h7-9,12,14H,2-6,10,18H2,1H3,(H2,19,21)
InChIKeyZBFRBRSXXYLJJI-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.89
Rot. Bonds5

About 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide

4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide (PubChem CID 82789401) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
PubChem CID82789401
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
SMILESCCN(c1ccc(C(N)=O)cc1Br)C1CCCCC1CN
InChIInChI=1S/C16H24BrN3O/c1-2-20(14-6-4-3-5-12(14)10-18)15-8-7-11(16(19)21)9-13(15)17/h7-9,12,14H,2-6,10,18H2,1H3,(H2,19,21)
InChIKeyZBFRBRSXXYLJJI-UHFFFAOYSA-N
XLogP2.89
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide
CID 114894072
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-5-bromobenzonitrile
CID 114894077
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
CID 79522956
N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
CID 81294148
3-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]benzamide
CID 106641907
4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline
CID 82794328
2-(2-bromo-4-carbamoyl-N-ethylanilino)acetic acid
CID 82798099
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline
CID 107303804
N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide
CID 115999669
4-[(4-aminocyclohexyl)-methylamino]-3-bromobenzamide
CID 82808751
4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-bromobenzamide
CID 82810214

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide?
The IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide (CID 82789401) is 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide?
The canonical SMILES for 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide is CCN(c1ccc(C(N)=O)cc1Br)C1CCCCC1CN.
What is the InChIKey of 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide?
The InChIKey is ZBFRBRSXXYLJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-2-20(14-6-4-3-5-12(14)10-18)15-8-7-11(16(19)21)9-13(15)17/h7-9,12,14H,2-6,10,18H2,1H3,(H2,19,21).
What are the key properties of 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide?
4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide has a molecular weight of 354.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide is sourced from PubChem (CID 82789401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).