3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine

C17H22N2O2 — CID 80740132

IUPAC3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(C)c2ccccc2OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-9-21-15-11-13(18)10-14(12-15)19(2)16-7-5-6-8-17(16)20-3/h5-8,10-12H,4,9,18H2,1-3H3
InChIKeyUYDPDEFRTDZNQH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.83
Rot. Bonds6

About 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine

3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine (PubChem CID 80740132) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine
PubChem CID80740132
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(C)c2ccccc2OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-9-21-15-11-13(18)10-14(12-15)19(2)16-7-5-6-8-17(16)20-3/h5-8,10-12H,4,9,18H2,1-3H3
InChIKeyUYDPDEFRTDZNQH-UHFFFAOYSA-N
XLogP3.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine (CID 80740132) is 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(N(C)c2ccccc2OC)c1.
What is the InChIKey of 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine?
The InChIKey is UYDPDEFRTDZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-9-21-15-11-13(18)10-14(12-15)19(2)16-7-5-6-8-17(16)20-3/h5-8,10-12H,4,9,18H2,1-3H3.
What are the key properties of 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine?
3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyphenyl)-3-N-methyl-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 80740132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).