2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine

C20H25NO2 — CID 125482851

IUPAC2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1OC)-c1cccc(CCN(C)C)c1CC2
InChIInChI=1S/C20H25NO2/c1-21(2)13-12-14-6-5-7-17-16(14)10-8-15-9-11-18(22-3)20(23-4)19(15)17/h5-7,9,11H,8,10,12-13H2,1-4H3
InChIKeySIAXFQBXBSLXCR-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.57
Rot. Bonds5

About 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine

2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine (PubChem CID 125482851) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine
PubChem CID125482851
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1OC)-c1cccc(CCN(C)C)c1CC2
InChIInChI=1S/C20H25NO2/c1-21(2)13-12-14-6-5-7-17-16(14)10-8-15-9-11-18(22-3)20(23-4)19(15)17/h5-7,9,11H,8,10,12-13H2,1-4H3
InChIKeySIAXFQBXBSLXCR-UHFFFAOYSA-N
XLogP3.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-iodo-3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 10640506
6,7-dimethoxy-2,3-dihydroinden-1-one
CID 15292475
(9R)-3,4-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
CID 11616366
3,4-dimethoxypentacyclo[9.5.2.02,7.08,17.014,18]octadeca-1(16),2(7),3,5,8(17),9,11(18),14-octaene
CID 101465646
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol
CID 57093862
3-[2-methoxy-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865770
(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine
CID 129363571
5-(2,3,4-trimethoxyphenyl)-1,2-dihydroacenaphthylene
CID 122402189
N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4637627
1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
CID 3052715
2-(4-bromo-7-methoxy-1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 134862920

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine (CID 125482851) is 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine is COc1ccc2c(c1OC)-c1cccc(CCN(C)C)c1CC2.
What is the InChIKey of 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine?
The InChIKey is SIAXFQBXBSLXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21(2)13-12-14-6-5-7-17-16(14)10-8-15-9-11-18(22-3)20(23-4)19(15)17/h5-7,9,11H,8,10,12-13H2,1-4H3.
What are the key properties of 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine?
2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine has a molecular weight of 311.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 125482851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).