N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

C17H21BrN2O — CID 62555090

IUPACN-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccccc1CN(C)CCNc1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c1-20(13-14-7-3-6-10-17(14)21-2)12-11-19-16-9-5-4-8-15(16)18/h3-10,19H,11-13H2,1-2H3
InChIKeyRCJFPCRRUTZKMV-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.00
Rot. Bonds7

About N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62555090) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62555090
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccccc1CN(C)CCNc1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c1-20(13-14-7-3-6-10-17(14)21-2)12-11-19-16-9-5-4-8-15(16)18/h3-10,19H,11-13H2,1-2H3
InChIKeyRCJFPCRRUTZKMV-UHFFFAOYSA-N
XLogP4.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
N'-ethyl-N-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 143024311
N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560557
N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 55089307
N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503457
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 62555090) is N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is COc1ccccc1CN(C)CCNc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is RCJFPCRRUTZKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(13-14-7-3-6-10-17(14)21-2)12-11-19-16-9-5-4-8-15(16)18/h3-10,19H,11-13H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 349.27 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62555090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).