1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine

C13H22N2O — CID 66517345

IUPAC1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cc(C)c(C)cc1C(N)CN
InChIInChI=1S/C13H22N2O/c1-4-5-16-13-7-10(3)9(2)6-11(13)12(15)8-14/h6-7,12H,4-5,8,14-15H2,1-3H3
InChIKeyOQRIWIDQHYENGT-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.05
Rot. Bonds5

About 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine

1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine (PubChem CID 66517345) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine
PubChem CID66517345
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1cc(C)c(C)cc1C(N)CN
InChIInChI=1S/C13H22N2O/c1-4-5-16-13-7-10(3)9(2)6-11(13)12(15)8-14/h6-7,12H,4-5,8,14-15H2,1-3H3
InChIKeyOQRIWIDQHYENGT-UHFFFAOYSA-N
XLogP2.05
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-4,5-dimethylphenyl)ethane-1,2-diamine
CID 66516824
(1R)-1-(5-chloro-2-methoxy-4-methylphenyl)ethane-1,2-diamine
CID 66517766
4,5-dimethyl-2-propoxyphenol
CID 82053946
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
CID 83940931
2-[2-(2,3,6-trimethyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83939555
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 66517333
1-(2,4-dipropoxyphenyl)butan-1-amine
CID 82551376
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine (CID 66517345) is 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine is CCCOc1cc(C)c(C)cc1C(N)CN.
What is the InChIKey of 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is OQRIWIDQHYENGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-5-16-13-7-10(3)9(2)6-11(13)12(15)8-14/h6-7,12H,4-5,8,14-15H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine?
1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 66517345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).