N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine

C11H16BrNO — CID 90702966

IUPACN-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine
SMILESCCCN(O)CCc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-2-7-13(14)8-6-10-4-3-5-11(12)9-10/h3-5,9,14H,2,6-8H2,1H3
InChIKeyNEYWGQCQAOOXEH-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine

N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine (PubChem CID 90702966) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine
PubChem CID90702966
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine
SMILESCCCN(O)CCc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO/c1-2-7-13(14)8-6-10-4-3-5-11(12)9-10/h3-5,9,14H,2,6-8H2,1H3
InChIKeyNEYWGQCQAOOXEH-UHFFFAOYSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-N-propylhydroxylamine
CID 91048549
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
2-(3-bromophenyl)ethanol
CID 2734090
4-[[(3-bromophenyl)methyl-propylamino]methyl]aniline
CID 43459560
N-[(3-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426450
1-bromo-3-ethylbenzene;ethane
CID 143778556
1-bromo-3-ethylbenzene;methane
CID 158533972
3-[2-(3-bromophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042488
N-[2-(3-bromophenyl)ethyl]-N-methyl-3-sulfanylpropanamide
CID 115168103
3-[(3-bromophenyl)methyl]pentan-3-ol
CID 60799504
N-[2-(3-bromophenyl)ethyl]-2-cyano-N-methylacetamide
CID 82134700
3-N-[2-(3-bromophenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041027

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine (CID 90702966) is N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine is CCCN(O)CCc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine?
The InChIKey is NEYWGQCQAOOXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-7-13(14)8-6-10-4-3-5-11(12)9-10/h3-5,9,14H,2,6-8H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine?
N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine has a molecular weight of 258.16 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-N-propylhydroxylamine is sourced from PubChem (CID 90702966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).