2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol

C14H21NO3 — CID 103376928

IUPAC2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol
SMILESCOc1ccc2c(c1)CCCC2(CN)OCCO
InChIInChI=1S/C14H21NO3/c1-17-12-4-5-13-11(9-12)3-2-6-14(13,10-15)18-8-7-16/h4-5,9,16H,2-3,6-8,10,15H2,1H3
InChIKeyIDDAUBBCCYWFCD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds5

About 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol

2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol (PubChem CID 103376928) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol
PubChem CID103376928
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol
SMILESCOc1ccc2c(c1)CCCC2(CN)OCCO
InChIInChI=1S/C14H21NO3/c1-17-12-4-5-13-11(9-12)3-2-6-14(13,10-15)18-8-7-16/h4-5,9,16H,2-3,6-8,10,15H2,1H3
InChIKeyIDDAUBBCCYWFCD-UHFFFAOYSA-N
XLogP1.19
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol with MolForge

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Related Compounds

2-[[1-(aminomethyl)-5-fluoro-2,3-dihydroinden-1-yl]oxy]ethanol
CID 103376919
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976
1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 55090777
ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate
CID 62394893
6-methoxy-1-(propylamino)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 60796789
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766
2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
CID 105497580

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol?
The IUPAC name of 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol (CID 103376928) is 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol.
What is the SMILES notation for 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol?
The canonical SMILES for 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol is COc1ccc2c(c1)CCCC2(CN)OCCO.
What is the InChIKey of 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol?
The InChIKey is IDDAUBBCCYWFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-12-4-5-13-11(9-12)3-2-6-14(13,10-15)18-8-7-16/h4-5,9,16H,2-3,6-8,10,15H2,1H3.
What are the key properties of 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol?
2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol is sourced from PubChem (CID 103376928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).