2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine

C16H18BrNO — CID 115464862

IUPAC2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1COc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-18-10-9-13-5-2-3-6-14(13)12-19-16-8-4-7-15(17)11-16/h2-8,11,18H,9-10,12H2,1H3
InChIKeyRGJTVCFCBULKER-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.79
Rot. Bonds6

About 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine

2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine (PubChem CID 115464862) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine
PubChem CID115464862
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1COc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-18-10-9-13-5-2-3-6-14(13)12-19-16-8-4-7-15(17)11-16/h2-8,11,18H,9-10,12H2,1H3
InChIKeyRGJTVCFCBULKER-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine 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

N-[[2-[(3-bromophenoxy)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63498759
2-[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464733
2-[2-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464894
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
1-[2-[(3-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62453866
2-[(3-bromophenoxy)methyl]benzoic acid;methyl 2-[(3-bromophenoxy)methyl]benzoate
CID 67878013
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
1-[2-[(3-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62460997
1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621
1-bromo-3-(cyclobuten-1-ylmethoxy)benzene
CID 99992080
2-[[6-[(3-bromophenoxy)methyl]-5-fluoro-3-pyridinyl]oxy]-N-methylethanamine
CID 142465448
2-(2-bromophenyl)-N-methylethanamine
CID 11964124

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine (CID 115464862) is 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine is CNCCc1ccccc1COc1cccc(Br)c1.
What is the InChIKey of 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine?
The InChIKey is RGJTVCFCBULKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-18-10-9-13-5-2-3-6-14(13)12-19-16-8-4-7-15(17)11-16/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine?
2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine has a molecular weight of 320.23 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromophenoxy)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 115464862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).