2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol

C21H25NO3 — CID 19961130

IUPAC2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol
SMILESCOc1ccc2c(c1OC)CC(c1ccccc1)C(CCO)=C2CN
InChIInChI=1S/C21H25NO3/c1-24-20-9-8-15-18(21(20)25-2)12-17(14-6-4-3-5-7-14)16(10-11-23)19(15)13-22/h3-9,17,23H,10-13,22H2,1-2H3
InChIKeyIVLAKDIEWNYKRA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.14
Rot. Bonds6

About 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol

2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol (PubChem CID 19961130) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol
PubChem CID19961130
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol
SMILESCOc1ccc2c(c1OC)CC(c1ccccc1)C(CCO)=C2CN
InChIInChI=1S/C21H25NO3/c1-24-20-9-8-15-18(21(20)25-2)12-17(14-6-4-3-5-7-14)16(10-11-23)19(15)13-22/h3-9,17,23H,10-13,22H2,1-2H3
InChIKeyIVLAKDIEWNYKRA-UHFFFAOYSA-N
XLogP3.14
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 129365943
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
N-[(5,6-dimethoxy-3,4-dihydronaphthalen-1-yl)methyl]propan-2-amine
CID 13340007
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946
7,8-dimethoxy-1H-isochromen-4-one
CID 174773303
(7,8-dimethoxy-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)-trimethylazanium
CID 134488088
6,7-dimethoxy-3-oxo-1,2-dihydroindene-1-carboxylic acid
CID 82129493
(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 83890605
2,6-dimethoxy-3-phenylbenzamide
CID 68897697
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
7,8-dimethoxy-5-phenyl-9-propyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 20529912
2-[(1-benzylpiperidin-4-yl)methyl]-4,5-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 14553545

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol?
The IUPAC name of 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol (CID 19961130) is 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol.
What is the SMILES notation for 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol?
The canonical SMILES for 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol is COc1ccc2c(c1OC)CC(c1ccccc1)C(CCO)=C2CN.
What is the InChIKey of 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol?
The InChIKey is IVLAKDIEWNYKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-20-9-8-15-18(21(20)25-2)12-17(14-6-4-3-5-7-14)16(10-11-23)19(15)13-22/h3-9,17,23H,10-13,22H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol?
2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol has a molecular weight of 339.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-5,6-dimethoxy-3-phenyl-3,4-dihydronaphthalen-2-yl]ethanol is sourced from PubChem (CID 19961130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).