2-(4-bromophenoxy)-1-phenylethanamine

C14H14BrNO — CID 63771219

IUPAC2-(4-bromophenoxy)-1-phenylethanamine
SMILESNC(COc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H14BrNO/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChIKeyQQBUHBZPNNWCGC-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.53
Rot. Bonds4

About 2-(4-bromophenoxy)-1-phenylethanamine

2-(4-bromophenoxy)-1-phenylethanamine (PubChem CID 63771219) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-phenylethanamine
PubChem CID63771219
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name2-(4-bromophenoxy)-1-phenylethanamine
SMILESNC(COc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C14H14BrNO/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
InChIKeyQQBUHBZPNNWCGC-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenoxy)-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027726
2-(4-bromo-3-fluorophenoxy)-1-phenylethanamine
CID 65203757
2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
CID 117243728
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
2-(5-bromo-2-fluorophenoxy)-1-phenylethanamine
CID 114673476
2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine
CID 16641590
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
2-amino-3-(4-bromophenoxy)propanoic acid
CID 65443957
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-phenylethanamine?
The IUPAC name of 2-(4-bromophenoxy)-1-phenylethanamine (CID 63771219) is 2-(4-bromophenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-1-phenylethanamine is NC(COc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenoxy)-1-phenylethanamine?
The InChIKey is QQBUHBZPNNWCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-12-6-8-13(9-7-12)17-10-14(16)11-4-2-1-3-5-11/h1-9,14H,10,16H2.
What are the key properties of 2-(4-bromophenoxy)-1-phenylethanamine?
2-(4-bromophenoxy)-1-phenylethanamine has a molecular weight of 292.18 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-phenylethanamine is sourced from PubChem (CID 63771219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).