2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine

C17H19Br2NO — CID 65326574

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
SMILESCOc1ccc(Br)c(CC(CN)Cc2ccccc2Br)c1
InChIInChI=1S/C17H19Br2NO/c1-21-15-6-7-17(19)14(10-15)9-12(11-20)8-13-4-2-3-5-16(13)18/h2-7,10,12H,8-9,11,20H2,1H3
InChIKeyNEUIQVATZUQBPF-UHFFFAOYSA-N
MW413.15 g/mol
LogP4.58
Rot. Bonds6

About 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine

2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine (PubChem CID 65326574) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
PubChem CID65326574
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
SMILESCOc1ccc(Br)c(CC(CN)Cc2ccccc2Br)c1
InChIInChI=1S/C17H19Br2NO/c1-21-15-6-7-17(19)14(10-15)9-12(11-20)8-13-4-2-3-5-16(13)18/h2-7,10,12H,8-9,11,20H2,1H3
InChIKeyNEUIQVATZUQBPF-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.15
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79437673
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440611
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
CID 65327369
3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine
CID 79441367
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
CID 65325300

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine (CID 65326574) is 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine is COc1ccc(Br)c(CC(CN)Cc2ccccc2Br)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine?
The InChIKey is NEUIQVATZUQBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-21-15-6-7-17(19)14(10-15)9-12(11-20)8-13-4-2-3-5-16(13)18/h2-7,10,12H,8-9,11,20H2,1H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine?
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine has a molecular weight of 413.15 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine is sourced from PubChem (CID 65326574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).