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

C11H18N2O — CID 4998377

IUPAC1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)C)cc1
InChIInChI=1S/C11H18N2O/c1-13(2)11(8-12)9-4-6-10(14-3)7-5-9/h4-7,11H,8,12H2,1-3H3
InChIKeyDIFDGMFDUHMXCH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.26
Rot. Bonds4

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

1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 4998377) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID4998377
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccc(C(CN)N(C)C)cc1
InChIInChI=1S/C11H18N2O/c1-13(2)11(8-12)9-4-6-10(14-3)7-5-9/h4-7,11H,8,12H2,1-3H3
InChIKeyDIFDGMFDUHMXCH-UHFFFAOYSA-N
XLogP1.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 4998377) is 1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is COc1ccc(C(CN)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is DIFDGMFDUHMXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13(2)11(8-12)9-4-6-10(14-3)7-5-9/h4-7,11H,8,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 4998377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).