2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide

C15H22BrN3O — CID 114894072

IUPAC2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide
SMILESCCN(c1ccc(Br)cc1C(N)=O)C1CCCC1CN
InChIInChI=1S/C15H22BrN3O/c1-2-19(13-5-3-4-10(13)9-17)14-7-6-11(16)8-12(14)15(18)20/h6-8,10,13H,2-5,9,17H2,1H3,(H2,18,20)
InChIKeyBCNSGXMLGXSJQZ-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.50
Rot. Bonds5

About 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide

2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide (PubChem CID 114894072) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide
PubChem CID114894072
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide
SMILESCCN(c1ccc(Br)cc1C(N)=O)C1CCCC1CN
InChIInChI=1S/C15H22BrN3O/c1-2-19(13-5-3-4-10(13)9-17)14-7-6-11(16)8-12(14)15(18)20/h6-8,10,13H,2-5,9,17H2,1H3,(H2,18,20)
InChIKeyBCNSGXMLGXSJQZ-UHFFFAOYSA-N
XLogP2.50
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
CID 82789401
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-5-bromobenzonitrile
CID 114894077
5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
CID 114893995
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
CID 79522956
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-fluoro-4-(trifluoromethyl)aniline
CID 107303804
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79717512
N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
CID 81112557
5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445942
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
CID 61076731
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile
CID 81304710
2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid
CID 114900912
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106876164

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide (CID 114894072) is 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide is CCN(c1ccc(Br)cc1C(N)=O)C1CCCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide?
The InChIKey is BCNSGXMLGXSJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-19(13-5-3-4-10(13)9-17)14-7-6-11(16)8-12(14)15(18)20/h6-8,10,13H,2-5,9,17H2,1H3,(H2,18,20).
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide?
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide has a molecular weight of 340.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide is sourced from PubChem (CID 114894072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).