N-(3-phenylpropyl)hydroxylamine;hydrobromide

C9H14BrNO — CID 175175085

IUPACN-(3-phenylpropyl)hydroxylamine;hydrobromide
SMILESBr.ONCCCc1ccccc1
InChIInChI=1S/C9H13NO.BrH/c11-10-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8H2;1H
InChIKeyAMKOKUAARQPCII-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.18
Rot. Bonds4

About N-(3-phenylpropyl)hydroxylamine;hydrobromide

N-(3-phenylpropyl)hydroxylamine;hydrobromide (PubChem CID 175175085) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is N-(3-phenylpropyl)hydroxylamine;hydrobromide.

Molecular Properties

Compound NameN-(3-phenylpropyl)hydroxylamine;hydrobromide
PubChem CID175175085
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC NameN-(3-phenylpropyl)hydroxylamine;hydrobromide
SMILESBr.ONCCCc1ccccc1
InChIInChI=1S/C9H13NO.BrH/c11-10-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8H2;1H
InChIKeyAMKOKUAARQPCII-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chlorophenyl)propyl]hydroxylamine
CID 23199734
1-(2-phenylethyl)-2-(3-phenylpropyl)hydrazine
CID 56631422
4-phenylbutylbenzene
CID 141301927
2-(3-phenylpropylamino)ethanol
CID 19012091
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
methane;4-phenylbutylbenzene
CID 173386802
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
CID 159131095
CID 159131095
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
3-(3-phenylpropylamino)phenol
CID 28722963
3-phenylpropylurea;hydrochloride
CID 174579396

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)hydroxylamine;hydrobromide?
The IUPAC name of N-(3-phenylpropyl)hydroxylamine;hydrobromide (CID 175175085) is N-(3-phenylpropyl)hydroxylamine;hydrobromide.
What is the SMILES notation for N-(3-phenylpropyl)hydroxylamine;hydrobromide?
The canonical SMILES for N-(3-phenylpropyl)hydroxylamine;hydrobromide is Br.ONCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)hydroxylamine;hydrobromide?
The InChIKey is AMKOKUAARQPCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.BrH/c11-10-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6,10-11H,4,7-8H2;1H.
What are the key properties of N-(3-phenylpropyl)hydroxylamine;hydrobromide?
N-(3-phenylpropyl)hydroxylamine;hydrobromide has a molecular weight of 232.12 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)hydroxylamine;hydrobromide is sourced from PubChem (CID 175175085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).