2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide

C14H21BrN2O2 — CID 115187049

IUPAC2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NCCc1cc(Br)ccc1OC
InChIInChI=1S/C14H21BrN2O2/c1-3-10(9-16)14(18)17-7-6-11-8-12(15)4-5-13(11)19-2/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyNKMUZZVQOZSWPB-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.10
Rot. Bonds7

About 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide

2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide (PubChem CID 115187049) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide
PubChem CID115187049
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide
SMILESCCC(CN)C(=O)NCCc1cc(Br)ccc1OC
InChIInChI=1S/C14H21BrN2O2/c1-3-10(9-16)14(18)17-7-6-11-8-12(15)4-5-13(11)19-2/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)
InChIKeyNKMUZZVQOZSWPB-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
2-(aminomethyl)-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115187003
methyl 2-[2-(5-bromo-2-methoxyphenyl)ethylamino]-2-oxoacetate
CID 115142532
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]pentanamide
CID 115156776
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 115152018
1-amino-3-[2-(5-bromo-2-methoxyphenyl)ethylamino]propan-2-ol
CID 115121601
N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110788022
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
N-(3-aminobutyl)-2-(5-bromo-2-methoxyphenyl)acetamide
CID 119497012
3-amino-1-(5-bromo-2-methoxyphenyl)pentan-2-one
CID 116584145

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide (CID 115187049) is 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide is CCC(CN)C(=O)NCCc1cc(Br)ccc1OC.
What is the InChIKey of 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide?
The InChIKey is NKMUZZVQOZSWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-10(9-16)14(18)17-7-6-11-8-12(15)4-5-13(11)19-2/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide?
2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide has a molecular weight of 329.24 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(5-bromo-2-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 115187049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).