2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine

C13H22N2O — CID 83923856

IUPAC2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
SMILESCOc1cccc(C)c1CCC(CN)CN
InChIInChI=1S/C13H22N2O/c1-10-4-3-5-13(16-2)12(10)7-6-11(8-14)9-15/h3-5,11H,6-9,14-15H2,1-2H3
InChIKeyJRXWYFZVZQXLHH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.47
Rot. Bonds6

About 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine

2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine (PubChem CID 83923856) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
PubChem CID83923856
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
SMILESCOc1cccc(C)c1CCC(CN)CN
InChIInChI=1S/C13H22N2O/c1-10-4-3-5-13(16-2)12(10)7-6-11(8-14)9-15/h3-5,11H,6-9,14-15H2,1-2H3
InChIKeyJRXWYFZVZQXLHH-UHFFFAOYSA-N
XLogP1.47
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
CID 83923964
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
1-methoxy-3-methyl-2-[(Z)-pent-3-enyl]benzene
CID 83923935
2-[2-(2-methoxy-6-methylphenyl)butyl]propane-1,3-diamine
CID 83923858
1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
CID 55283458
2-butyl-1,3-dimethoxybenzene
CID 524840
4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine
CID 117317050
3-methoxy-2-(3-methylbutyl)phenol
CID 141105088
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
2-[2,2-bis(4-methoxyphenyl)ethyl]-1-methoxy-3-methylbenzene
CID 57058082
(2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 84698165
1-(2,6-dimethoxyphenyl)-4,4-dimethylpentan-3-ol
CID 116811120

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine (CID 83923856) is 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine is COc1cccc(C)c1CCC(CN)CN.
What is the InChIKey of 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is JRXWYFZVZQXLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-4-3-5-13(16-2)12(10)7-6-11(8-14)9-15/h3-5,11H,6-9,14-15H2,1-2H3.
What are the key properties of 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine?
2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83923856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).