(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine

C16H17NO2 — CID 129363571

IUPAC(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine
SMILESCOc1ccc2c(c1OC)-c1ccccc1[C@H](N)C2
InChIInChI=1S/C16H17NO2/c1-18-14-8-7-10-9-13(17)11-5-3-4-6-12(11)15(10)16(14)19-2/h3-8,13H,9,17H2,1-2H3/t13-/m1/s1
InChIKeyDLCVQINXHXGVKK-CYBMUJFWSA-N
MW255.32 g/mol
LogP2.93
Rot. Bonds2

About (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine

(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine (PubChem CID 129363571) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine.

Molecular Properties

Compound Name(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine
PubChem CID129363571
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine
SMILESCOc1ccc2c(c1OC)-c1ccccc1[C@H](N)C2
InChIInChI=1S/C16H17NO2/c1-18-14-8-7-10-9-13(17)11-5-3-4-6-12(11)15(10)16(14)19-2/h3-8,13H,9,17H2,1-2H3/t13-/m1/s1
InChIKeyDLCVQINXHXGVKK-CYBMUJFWSA-N
XLogP2.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine?
The IUPAC name of (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine (CID 129363571) is (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine.
What is the SMILES notation for (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine?
The canonical SMILES for (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine is COc1ccc2c(c1OC)-c1ccccc1[C@H](N)C2.
What is the InChIKey of (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine?
The InChIKey is DLCVQINXHXGVKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-14-8-7-10-9-13(17)11-5-3-4-6-12(11)15(10)16(14)19-2/h3-8,13H,9,17H2,1-2H3/t13-/m1/s1.
What are the key properties of (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine?
(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine has a molecular weight of 255.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine is sourced from PubChem (CID 129363571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).