N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C13H22N2O — CID 97179205

IUPACN-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1c(C)cccc1CNCCN(C)C
InChIInChI=1S/C13H22N2O/c1-11-6-5-7-12(13(11)16-4)10-14-8-9-15(2)3/h5-7,14H,8-10H2,1-4H3
InChIKeyCGGNAZPEWJZJBR-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.65
Rot. Bonds6

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

N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 97179205) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID97179205
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1c(C)cccc1CNCCN(C)C
InChIInChI=1S/C13H22N2O/c1-11-6-5-7-12(13(11)16-4)10-14-8-9-15(2)3/h5-7,14H,8-10H2,1-4H3
InChIKeyCGGNAZPEWJZJBR-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 60657470
N-[(3-ethoxy-2-methoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220481
2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
CID 102536745
N-[(2,3-dimethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844818
3-[[(2-methoxy-3-methylphenyl)methylamino]methyl]phenol
CID 167826049
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
(2S)-2-[(2-methoxy-3-methylphenyl)methylamino]butan-1-ol
CID 97179065
N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 166473574
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 97179205) is N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is COc1c(C)cccc1CNCCN(C)C.
What is the InChIKey of N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CGGNAZPEWJZJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-6-5-7-12(13(11)16-4)10-14-8-9-15(2)3/h5-7,14H,8-10H2,1-4H3.
What are the key properties of N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 97179205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).