[(1S)-1-(4-bromophenyl)propyl]azanium

C9H13BrN+ — CID 7127716

IUPAC[(1S)-1-(4-bromophenyl)propyl]azanium
SMILESCC[C@H]([NH3+])c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2,11H2,1H3/p+1/t9-/m0/s1
InChIKeyWKPWFAZJGVXPCH-VIFPVBQESA-O
MW215.11 g/mol
LogP2.14
Rot. Bonds2

About [(1S)-1-(4-bromophenyl)propyl]azanium

[(1S)-1-(4-bromophenyl)propyl]azanium (PubChem CID 7127716) has the molecular formula C9H13BrN+ and a molecular weight of 215.11 g/mol. Its IUPAC name is [(1S)-1-(4-bromophenyl)propyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(4-bromophenyl)propyl]azanium
PubChem CID7127716
Molecular FormulaC9H13BrN+
Molecular Weight215.11 g/mol
Exact Mass214.02
IUPAC Name[(1S)-1-(4-bromophenyl)propyl]azanium
SMILESCC[C@H]([NH3+])c1ccc(Br)cc1
InChIInChI=1S/C9H12BrN/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2,11H2,1H3/p+1/t9-/m0/s1
InChIKeyWKPWFAZJGVXPCH-VIFPVBQESA-O
XLogP2.14
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-Phenethylamine
CID 7408
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
4-Bromobenzylamine
CID 77571
1-(4-Bromophenyl)ethylamine
CID 91175
Benzenemethanamine, 3-bromo-
CID 457587
4-Bromo-alpha-methylbenzeneethanamine
CID 205668
1-Phenylpropan-1-amine
CID 18054
2-Bromobenzylamine
CID 334072
2-Bromo-N-methylbenzylamine
CID 522360
p-Bromophenethylamine
CID 533915
(4-Bromo-2-fluorophenyl)methanamine
CID 3770848

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-bromophenyl)propyl]azanium?
The IUPAC name of [(1S)-1-(4-bromophenyl)propyl]azanium (CID 7127716) is [(1S)-1-(4-bromophenyl)propyl]azanium.
What is the SMILES notation for [(1S)-1-(4-bromophenyl)propyl]azanium?
The canonical SMILES for [(1S)-1-(4-bromophenyl)propyl]azanium is CC[C@H]([NH3+])c1ccc(Br)cc1.
What is the InChIKey of [(1S)-1-(4-bromophenyl)propyl]azanium?
The InChIKey is WKPWFAZJGVXPCH-VIFPVBQESA-O. The full InChI is InChI=1S/C9H12BrN/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9H,2,11H2,1H3/p+1/t9-/m0/s1.
What are the key properties of [(1S)-1-(4-bromophenyl)propyl]azanium?
[(1S)-1-(4-bromophenyl)propyl]azanium has a molecular weight of 215.11 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-bromophenyl)propyl]azanium is sourced from PubChem (CID 7127716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).