5-(4-aminobutyl)-2-bromoaniline

C10H15BrN2 — CID 117115644

IUPAC5-(4-aminobutyl)-2-bromoaniline
SMILESNCCCCc1ccc(Br)c(N)c1
InChIInChI=1S/C10H15BrN2/c11-9-5-4-8(7-10(9)13)3-1-2-6-12/h4-5,7H,1-3,6,12-13H2
InChIKeyWZQNSKIFTDKXQZ-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.31
Rot. Bonds4

About 5-(4-aminobutyl)-2-bromoaniline

5-(4-aminobutyl)-2-bromoaniline (PubChem CID 117115644) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 5-(4-aminobutyl)-2-bromoaniline.

Molecular Properties

Compound Name5-(4-aminobutyl)-2-bromoaniline
PubChem CID117115644
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name5-(4-aminobutyl)-2-bromoaniline
SMILESNCCCCc1ccc(Br)c(N)c1
InChIInChI=1S/C10H15BrN2/c11-9-5-4-8(7-10(9)13)3-1-2-6-12/h4-5,7H,1-3,6,12-13H2
InChIKeyWZQNSKIFTDKXQZ-UHFFFAOYSA-N
XLogP2.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(4-aminobutyl)-2-bromoaniline 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-bromo-5-butylaniline
CID 130156190
5-(4-aminobutyl)-2-bromo-N,N-dimethylaniline
CID 117115684
4-(3-aminopropyl)benzene-1,2-diamine
CID 82502911
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
5-(3-aminopropyl)-2-bromo-N,N-dimethylaniline
CID 115113337
10-(4-bromophenyl)decan-1-amine
CID 70564089
2-bromo-5-ethylaniline;hydrochloride
CID 126796901
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
2-bromo-5-(3-phenylpropoxymethyl)aniline
CID 115557539
5-[3-bromo-4-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 113438566

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutyl)-2-bromoaniline?
The IUPAC name of 5-(4-aminobutyl)-2-bromoaniline (CID 117115644) is 5-(4-aminobutyl)-2-bromoaniline.
What is the SMILES notation for 5-(4-aminobutyl)-2-bromoaniline?
The canonical SMILES for 5-(4-aminobutyl)-2-bromoaniline is NCCCCc1ccc(Br)c(N)c1.
What is the InChIKey of 5-(4-aminobutyl)-2-bromoaniline?
The InChIKey is WZQNSKIFTDKXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c11-9-5-4-8(7-10(9)13)3-1-2-6-12/h4-5,7H,1-3,6,12-13H2.
What are the key properties of 5-(4-aminobutyl)-2-bromoaniline?
5-(4-aminobutyl)-2-bromoaniline has a molecular weight of 243.15 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutyl)-2-bromoaniline is sourced from PubChem (CID 117115644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).