2-[(4-bromophenyl)methoxy]-N-ethylethanamine

C11H16BrNO — CID 62337818

IUPAC2-[(4-bromophenyl)methoxy]-N-ethylethanamine
SMILESCCNCCOCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-2-13-7-8-14-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeyWOCPYHGESZOWDH-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.58
Rot. Bonds6

About 2-[(4-bromophenyl)methoxy]-N-ethylethanamine

2-[(4-bromophenyl)methoxy]-N-ethylethanamine (PubChem CID 62337818) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methoxy]-N-ethylethanamine
PubChem CID62337818
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-[(4-bromophenyl)methoxy]-N-ethylethanamine
SMILESCCNCCOCc1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-2-13-7-8-14-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKeyWOCPYHGESZOWDH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82825733
N-ethyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62337631
N-[2-[(4-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825017
3-[(4-bromophenyl)methoxy]-N-methylpropan-1-amine
CID 82831550
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
3-[(4-bromophenyl)methoxy]-N-ethyl-2,2-dimethylpropan-1-amine
CID 82831624
N-[2-[(4-bromophenyl)methoxy]ethyl]-2-thiophen-3-ylethanamine
CID 82825014
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
N-[2-[(4-bromophenyl)methoxy]ethyl]-1-methoxypropan-2-amine
CID 82825096
N-[[3-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 82831547
1-bromo-4-(3,3-dimethylbutoxymethyl)benzene
CID 66225376

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methoxy]-N-ethylethanamine?
The IUPAC name of 2-[(4-bromophenyl)methoxy]-N-ethylethanamine (CID 62337818) is 2-[(4-bromophenyl)methoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[(4-bromophenyl)methoxy]-N-ethylethanamine?
The canonical SMILES for 2-[(4-bromophenyl)methoxy]-N-ethylethanamine is CCNCCOCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methoxy]-N-ethylethanamine?
The InChIKey is WOCPYHGESZOWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-13-7-8-14-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methoxy]-N-ethylethanamine?
2-[(4-bromophenyl)methoxy]-N-ethylethanamine has a molecular weight of 258.16 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methoxy]-N-ethylethanamine is sourced from PubChem (CID 62337818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).