2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide

C14H21BrN2O2 — CID 62900256

IUPAC2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide
SMILESCCC(N)Cc1cc(Br)ccc1OC(CC)C(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-3-11(16)8-9-7-10(15)5-6-13(9)19-12(4-2)14(17)18/h5-7,11-12H,3-4,8,16H2,1-2H3,(H2,17,18)
InChIKeyKCLYRKSAQLXZGF-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.37
Rot. Bonds7

About 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide

2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide (PubChem CID 62900256) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide
PubChem CID62900256
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide
SMILESCCC(N)Cc1cc(Br)ccc1OC(CC)C(N)=O
InChIInChI=1S/C14H21BrN2O2/c1-3-11(16)8-9-7-10(15)5-6-13(9)19-12(4-2)14(17)18/h5-7,11-12H,3-4,8,16H2,1-2H3,(H2,17,18)
InChIKeyKCLYRKSAQLXZGF-UHFFFAOYSA-N
XLogP2.37
TPSA78.34 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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-aminobutyl)-4-bromophenoxy]pentanoic acid
CID 83049346
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]butanamide
CID 78937476
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057352
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]butanoate
CID 64663407
2-[2-(aminomethyl)-4-bromophenoxy]butanoic acid
CID 64669698
methyl 3-[2-(2-aminobutyl)-4-bromophenoxy]-2,2-dimethylpropanoate
CID 79620900
1-(5-bromo-2-pentoxyphenyl)butan-2-amine
CID 55197493
1-(5-bromo-2-hexoxyphenyl)butan-2-amine
CID 63421563
2-[2-(2-aminobutyl)phenoxy]butanoic acid
CID 64661989
2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907106
2-[4-(2-aminobutyl)-2-bromophenoxy]butanoic acid
CID 64662793
ethyl 2-(2,4-dibromophenoxy)butanoate
CID 60730897

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide (CID 62900256) is 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide is CCC(N)Cc1cc(Br)ccc1OC(CC)C(N)=O.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide?
The InChIKey is KCLYRKSAQLXZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-11(16)8-9-7-10(15)5-6-13(9)19-12(4-2)14(17)18/h5-7,11-12H,3-4,8,16H2,1-2H3,(H2,17,18).
What are the key properties of 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide?
2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide has a molecular weight of 329.24 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-bromophenoxy]butanamide is sourced from PubChem (CID 62900256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).