N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine

C23H34N2O — CID 70821309

IUPACN'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1c(CC(C)C)cccc1CN(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C23H34N2O/c1-19(2)16-21-12-9-13-22(23(21)26-5)18-25(15-14-24(3)4)17-20-10-7-6-8-11-20/h6-13,19H,14-18H2,1-5H3
InChIKeyDBYWKGAZOWBRTE-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.46
Rot. Bonds10

About N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine

N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 70821309) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID70821309
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC NameN'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1c(CC(C)C)cccc1CN(CCN(C)C)Cc1ccccc1
InChIInChI=1S/C23H34N2O/c1-19(2)16-21-12-9-13-22(23(21)26-5)18-25(15-14-24(3)4)17-20-10-7-6-8-11-20/h6-13,19H,14-18H2,1-5H3
InChIKeyDBYWKGAZOWBRTE-UHFFFAOYSA-N
XLogP4.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20628585
N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine
CID 58598136
N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 70827104
2-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]phenol;oxalic acid
CID 126468036
N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20766140
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N'-benzyl-N'-[(Z)-2-butan-2-ylpent-3-enyl]-N,N-dimethylethane-1,2-diamine
CID 142160698
2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile
CID 20628499
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55009385

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine (CID 70821309) is N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine is COc1c(CC(C)C)cccc1CN(CCN(C)C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is DBYWKGAZOWBRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-19(2)16-21-12-9-13-22(23(21)26-5)18-25(15-14-24(3)4)17-20-10-7-6-8-11-20/h6-13,19H,14-18H2,1-5H3.
What are the key properties of N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine?
N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 354.54 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[[2-methoxy-3-(2-methylpropyl)phenyl]methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 70821309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).