2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine

C17H20BrNO — CID 2444

💊View drug profile → bromazine
IUPAC2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
InChIKeyNUNIWXHYABYXKF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.12
Rot. Bonds6

About 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine

2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine (PubChem CID 2444) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine
PubChem CID2444
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
InChIKeyNUNIWXHYABYXKF-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine 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

Diphenhydramine
CID 3100
Diphenhydramine Hydrochloride
CID 8980
Orphenadrine
CID 4601
Orphenadrine Hydrochloride
CID 9568
Bromodiphenhydramine Hydrochloride
CID 519514
Embramine
CID 19105
Emetonium iodide
CID 80084
Ethanaminium, 2-(diphenylmethoxy)-N,N,N-trimethyl-, bromide (1:1)
CID 10405586
Moxastine
CID 19142
Ethylamine, N,N-diethyl-2-(phenyl-(p-tolyl)methoxy)-, hydrochloride
CID 103792
Ethylbenzhydramine
CID 12552
Bromadryl
CID 13059512

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine (CID 2444) is 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine is CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine?
The InChIKey is NUNIWXHYABYXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine?
2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 2444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).