2-[(1S)-1-aminopropyl]-4,6-dibromoaniline

C9H12Br2N2 — CID 130700951

IUPAC2-[(1S)-1-aminopropyl]-4,6-dibromoaniline
SMILESCC[C@H](N)c1cc(Br)cc(Br)c1N
InChIInChI=1S/C9H12Br2N2/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h3-4,8H,2,12-13H2,1H3/t8-/m0/s1
InChIKeyZOUVTYKDSGKOAA-QMMMGPOBSA-N
MW308.02 g/mol
LogP3.20
Rot. Bonds2

About 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline

2-[(1S)-1-aminopropyl]-4,6-dibromoaniline (PubChem CID 130700951) has the molecular formula C9H12Br2N2 and a molecular weight of 308.02 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]-4,6-dibromoaniline
PubChem CID130700951
Molecular FormulaC9H12Br2N2
Molecular Weight308.02 g/mol
Exact Mass305.94
IUPAC Name2-[(1S)-1-aminopropyl]-4,6-dibromoaniline
SMILESCC[C@H](N)c1cc(Br)cc(Br)c1N
InChIInChI=1S/C9H12Br2N2/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h3-4,8H,2,12-13H2,1H3/t8-/m0/s1
InChIKeyZOUVTYKDSGKOAA-QMMMGPOBSA-N
XLogP3.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.02
LogP ≤ 53.20
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

(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine
CID 171199462
ethyl (3S)-3-amino-3-(2-amino-3,5-dibromophenyl)propanoate;hydrochloride
CID 171219035
2-[(1S)-1-amino-3,3-difluoropropyl]-4,6-dibromoaniline;hydrochloride
CID 171312845
(1R)-1-(2-amino-3,5-dibromophenyl)butane-1,4-diamine;hydrochloride
CID 171199463
(3R)-3-amino-3-(2-amino-3,5-dibromophenyl)propanenitrile;hydrochloride
CID 171260301
(1S)-1-(2-amino-3,5-dibromophenyl)pentane-1,5-diamine;hydrochloride
CID 171218992
2-[(1S)-1-aminopent-4-enyl]-4,6-dibromoaniline
CID 171219023
2-[(1S)-1-amino-2,2-difluoroethyl]-4,6-dibromoaniline
CID 131035663
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
2,4-dibromo-6-dodecan-5-ylaniline
CID 166959193
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline?
The IUPAC name of 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline (CID 130700951) is 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline?
The canonical SMILES for 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline is CC[C@H](N)c1cc(Br)cc(Br)c1N.
What is the InChIKey of 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline?
The InChIKey is ZOUVTYKDSGKOAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12Br2N2/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h3-4,8H,2,12-13H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline?
2-[(1S)-1-aminopropyl]-4,6-dibromoaniline has a molecular weight of 308.02 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]-4,6-dibromoaniline is sourced from PubChem (CID 130700951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).