2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine

C13H22N2O — CID 43829907

IUPAC2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine
SMILESCCC(N)(CN(C)C)c1ccc(OC)cc1
InChIInChI=1S/C13H22N2O/c1-5-13(14,10-15(2)3)11-6-8-12(16-4)9-7-11/h6-9H,5,10,14H2,1-4H3
InChIKeyUPJJALUOLCGKSZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine

2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine (PubChem CID 43829907) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine
PubChem CID43829907
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine
SMILESCCC(N)(CN(C)C)c1ccc(OC)cc1
InChIInChI=1S/C13H22N2O/c1-5-13(14,10-15(2)3)11-6-8-12(16-4)9-7-11/h6-9H,5,10,14H2,1-4H3
InChIKeyUPJJALUOLCGKSZ-UHFFFAOYSA-N
XLogP1.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]pentan-3-amine
CID 118630726
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
3-(4-methoxyphenyl)-4-N,4-N-dimethylheptane-3,4-diamine
CID 43829878
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
2-(4-chlorophenyl)-1-N,1-N-dimethylpentane-1,2-diamine
CID 43830852
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
1-(1,1-diethoxypropyl)-4-methoxybenzene
CID 56637922
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 43830167
1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol
CID 3242685
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine?
The IUPAC name of 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine (CID 43829907) is 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine is CCC(N)(CN(C)C)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine?
The InChIKey is UPJJALUOLCGKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-13(14,10-15(2)3)11-6-8-12(16-4)9-7-11/h6-9H,5,10,14H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine?
2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-N,1-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 43829907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).