3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

C18H21Br2NO — CID 170866339

IUPAC3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Br)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C18H21Br2NO/c1-21(2)11-3-4-15-12-17(20)9-10-18(15)22-13-14-5-7-16(19)8-6-14/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyTVVCVUWYKSEFJC-UHFFFAOYSA-N
MW427.18 g/mol
LogP5.28
Rot. Bonds7

About 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866339) has the molecular formula C18H21Br2NO and a molecular weight of 427.18 g/mol. Its IUPAC name is 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866339
Molecular FormulaC18H21Br2NO
Molecular Weight427.18 g/mol
Exact Mass425.00
IUPAC Name3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Br)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C18H21Br2NO/c1-21(2)11-3-4-15-12-17(20)9-10-18(15)22-13-14-5-7-16(19)8-6-14/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyTVVCVUWYKSEFJC-UHFFFAOYSA-N
XLogP5.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.18
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine 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

3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866336
3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866451
3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866319
3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170866064
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
[5-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanamine
CID 28981703
2-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-1H-imidazole
CID 70637450
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 17215024

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (CID 170866339) is 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(Br)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is TVVCVUWYKSEFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Br2NO/c1-21(2)11-3-4-15-12-17(20)9-10-18(15)22-13-14-5-7-16(19)8-6-14/h5-10,12H,3-4,11,13H2,1-2H3.
What are the key properties of 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 427.18 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).