2,3-dimethoxy-9,10-dihydrophenanthren-9-amine

C16H17NO2 — CID 70537938

IUPAC2,3-dimethoxy-9,10-dihydrophenanthren-9-amine
SMILESCOc1cc2c(cc1OC)-c1ccccc1C(N)C2
InChIInChI=1S/C16H17NO2/c1-18-15-8-10-7-14(17)12-6-4-3-5-11(12)13(10)9-16(15)19-2/h3-6,8-9,14H,7,17H2,1-2H3
InChIKeySLDMSSXMYJZUNP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.93
Rot. Bonds2

About 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine

2,3-dimethoxy-9,10-dihydrophenanthren-9-amine (PubChem CID 70537938) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine.

Molecular Properties

Compound Name2,3-dimethoxy-9,10-dihydrophenanthren-9-amine
PubChem CID70537938
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2,3-dimethoxy-9,10-dihydrophenanthren-9-amine
SMILESCOc1cc2c(cc1OC)-c1ccccc1C(N)C2
InChIInChI=1S/C16H17NO2/c1-18-15-8-10-7-14(17)12-6-4-3-5-11(12)13(10)9-16(15)19-2/h3-6,8-9,14H,7,17H2,1-2H3
InChIKeySLDMSSXMYJZUNP-UHFFFAOYSA-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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Related Compounds

2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid
CID 70535600
(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine
CID 129363571
9-amino-9,10-dihydrophenanthrene-2,3-diol;hydroiodide
CID 90673824
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
3-methoxy-9,10-dihydrophenanthrene-9-carboxamide
CID 154254625
(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10446565
[(7S)-7-(aminomethyl)-4-methoxy-3-bicyclo[4.2.0]octa-1,3,5-trienyl] hypochlorite
CID 134409805
6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
(3R)-3-amino-7-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 11608195

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine?
The IUPAC name of 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine (CID 70537938) is 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine.
What is the SMILES notation for 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine?
The canonical SMILES for 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine is COc1cc2c(cc1OC)-c1ccccc1C(N)C2.
What is the InChIKey of 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine?
The InChIKey is SLDMSSXMYJZUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-8-10-7-14(17)12-6-4-3-5-11(12)13(10)9-16(15)19-2/h3-6,8-9,14H,7,17H2,1-2H3.
What are the key properties of 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine?
2,3-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 2,3-dimethoxy-9,10-dihydrophenanthren-9-amine is sourced from PubChem (CID 70537938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).