2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine

C13H22N2O — CID 103152435

IUPAC2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine
SMILESCOC(CN)CCN(C)c1ccccc1C
InChIInChI=1S/C13H22N2O/c1-11-6-4-5-7-13(11)15(2)9-8-12(10-14)16-3/h4-7,12H,8-10,14H2,1-3H3
InChIKeyYNQUDTONZZJOEP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.80
Rot. Bonds6

About 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine

2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine (PubChem CID 103152435) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine
PubChem CID103152435
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine
SMILESCOC(CN)CCN(C)c1ccccc1C
InChIInChI=1S/C13H22N2O/c1-11-6-4-5-7-13(11)15(2)9-8-12(10-14)16-3/h4-7,12H,8-10,14H2,1-3H3
InChIKeyYNQUDTONZZJOEP-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153
N,2-dimethyl-N-propylaniline
CID 69435269
2-methoxy-N',N'-dimethylbutane-1,4-diamine
CID 83826305
4-(N,2-dimethylanilino)-2-(methylamino)butan-1-ol
CID 64791335
2,2-diethyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 62260800
ethyl 2-(cyclopropylamino)-4-(N,2-dimethylanilino)butanoate
CID 63053643
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride
CID 120595850
2-ethoxy-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 63071036
N-[amino-[2-[(4-hydroxy-3-methoxybutyl)-methylamino]phenyl]methylidene]formamide;methanol
CID 167508791
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
1-(2-chlorophenyl)-N,N'-dimethyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 63494077
2,5-dimethoxyhexane-1,6-diamine
CID 141495487

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine?
The IUPAC name of 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine (CID 103152435) is 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine.
What is the SMILES notation for 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine?
The canonical SMILES for 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine is COC(CN)CCN(C)c1ccccc1C.
What is the InChIKey of 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine?
The InChIKey is YNQUDTONZZJOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-6-4-5-7-13(11)15(2)9-8-12(10-14)16-3/h4-7,12H,8-10,14H2,1-3H3.
What are the key properties of 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine?
2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-methyl-N'-(2-methylphenyl)butane-1,4-diamine is sourced from PubChem (CID 103152435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).