1-(4-bromophenyl)-N-ethoxypropan-1-amine

C11H16BrNO — CID 80712261

IUPAC1-(4-bromophenyl)-N-ethoxypropan-1-amine
SMILESCCONC(CC)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-3-11(13-14-4-2)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyONULHJDVGCZPQQ-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-bromophenyl)-N-ethoxypropan-1-amine

1-(4-bromophenyl)-N-ethoxypropan-1-amine (PubChem CID 80712261) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethoxypropan-1-amine
PubChem CID80712261
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-(4-bromophenyl)-N-ethoxypropan-1-amine
SMILESCCONC(CC)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-3-11(13-14-4-2)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3
InChIKeyONULHJDVGCZPQQ-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 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 ≤ 53.44
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-[1-(4-bromophenyl)propyl]-3-methylpentan-2-amine
CID 43692297
1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine
CID 79548028
N-[1-(4-bromophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43720365
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
N-[1-(4-bromophenyl)propyl]formamide
CID 64990442
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 113457747
1-(4-bromophenyl)-N-[2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63477064
2-N-[1-(4-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476843
methyl 2-[1-(4-bromophenyl)propylamino]butanoate
CID 115352622

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethoxypropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethoxypropan-1-amine (CID 80712261) is 1-(4-bromophenyl)-N-ethoxypropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethoxypropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethoxypropan-1-amine is CCONC(CC)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethoxypropan-1-amine?
The InChIKey is ONULHJDVGCZPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-3-11(13-14-4-2)9-5-7-10(12)8-6-9/h5-8,11,13H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-ethoxypropan-1-amine?
1-(4-bromophenyl)-N-ethoxypropan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethoxypropan-1-amine is sourced from PubChem (CID 80712261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).