2-(3-aminopropyl)-5-bromoaniline

C9H13BrN2 — CID 53434170

IUPAC2-(3-aminopropyl)-5-bromoaniline
SMILESNCCCc1ccc(Br)cc1N
InChIInChI=1S/C9H13BrN2/c10-8-4-3-7(2-1-5-11)9(12)6-8/h3-4,6H,1-2,5,11-12H2
InChIKeyYYKMEOOZBLLHPO-UHFFFAOYSA-N
MW229.12 g/mol
LogP1.92
Rot. Bonds3

About 2-(3-aminopropyl)-5-bromoaniline

2-(3-aminopropyl)-5-bromoaniline (PubChem CID 53434170) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-bromoaniline.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-bromoaniline
PubChem CID53434170
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name2-(3-aminopropyl)-5-bromoaniline
SMILESNCCCc1ccc(Br)cc1N
InChIInChI=1S/C9H13BrN2/c10-8-4-3-7(2-1-5-11)9(12)6-8/h3-4,6H,1-2,5,11-12H2
InChIKeyYYKMEOOZBLLHPO-UHFFFAOYSA-N
XLogP1.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-dibromophenyl)hexan-1-amine
CID 65301155
5-(2,5-dibromophenyl)pentan-1-amine
CID 65301153
2-(2,4-dibromophenyl)ethanamine
CID 73012416
2-(2-amino-4-bromophenyl)-5-bromoaniline
CID 11221538
5-bromo-2-(cyclopropylmethyl)aniline
CID 105483648
4-bromo-2-butylaniline
CID 23053370
5-bromo-2-(methylsulfonylmethyl)aniline
CID 58656521
5-[3-(2-amino-4-bromophenyl)propoxy]pyridine-2-carbonitrile
CID 175156018
3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
CID 117428416
4-(5-bromo-2-methylsulfanylphenyl)butan-1-amine
CID 117437843
4-(3-aminopropyl)-2,3-difluoroaniline
CID 55254325
3-(4-aminobutyl)-6-bromonaphthalen-2-ol
CID 117474498

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-bromoaniline?
The IUPAC name of 2-(3-aminopropyl)-5-bromoaniline (CID 53434170) is 2-(3-aminopropyl)-5-bromoaniline.
What is the SMILES notation for 2-(3-aminopropyl)-5-bromoaniline?
The canonical SMILES for 2-(3-aminopropyl)-5-bromoaniline is NCCCc1ccc(Br)cc1N.
What is the InChIKey of 2-(3-aminopropyl)-5-bromoaniline?
The InChIKey is YYKMEOOZBLLHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c10-8-4-3-7(2-1-5-11)9(12)6-8/h3-4,6H,1-2,5,11-12H2.
What are the key properties of 2-(3-aminopropyl)-5-bromoaniline?
2-(3-aminopropyl)-5-bromoaniline has a molecular weight of 229.12 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-bromoaniline is sourced from PubChem (CID 53434170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).