3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine

C17H19NO2 — CID 15114431

IUPAC3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine
SMILESCNC1Cc2ccc(OC)c(OC)c2-c2ccccc21
InChIInChI=1S/C17H19NO2/c1-18-14-10-11-8-9-15(19-2)17(20-3)16(11)13-7-5-4-6-12(13)14/h4-9,14,18H,10H2,1-3H3
InChIKeyMUSSAKSITKMRTG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.19
Rot. Bonds3

About 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine

3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine (PubChem CID 15114431) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine
PubChem CID15114431
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine
SMILESCNC1Cc2ccc(OC)c(OC)c2-c2ccccc21
InChIInChI=1S/C17H19NO2/c1-18-14-10-11-8-9-15(19-2)17(20-3)16(11)13-7-5-4-6-12(13)14/h4-9,14,18H,10H2,1-3H3
InChIKeyMUSSAKSITKMRTG-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine?
The IUPAC name of 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine (CID 15114431) is 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine?
The canonical SMILES for 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine is CNC1Cc2ccc(OC)c(OC)c2-c2ccccc21.
What is the InChIKey of 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine?
The InChIKey is MUSSAKSITKMRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-18-14-10-11-8-9-15(19-2)17(20-3)16(11)13-7-5-4-6-12(13)14/h4-9,14,18H,10H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine?
3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine has a molecular weight of 269.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-9,10-dihydrophenanthren-9-amine is sourced from PubChem (CID 15114431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).