[6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol

C17H25NO3 — CID 61049568

IUPAC[6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCOc1ccc2c(c1)CCCC2(CO)NCC1CCCO1
InChIInChI=1S/C17H25NO3/c1-20-14-6-7-16-13(10-14)4-2-8-17(16,12-19)18-11-15-5-3-9-21-15/h6-7,10,15,18-19H,2-5,8-9,11-12H2,1H3
InChIKeyOKWYWENBTSMVED-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.99
Rot. Bonds5

About [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol

[6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 61049568) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
PubChem CID61049568
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
SMILESCOc1ccc2c(c1)CCCC2(CO)NCC1CCCO1
InChIInChI=1S/C17H25NO3/c1-20-14-6-7-16-13(10-14)4-2-8-17(16,12-19)18-11-15-5-3-9-21-15/h6-7,10,15,18-19H,2-5,8-9,11-12H2,1H3
InChIKeyOKWYWENBTSMVED-UHFFFAOYSA-N
XLogP1.99
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
methyl 1-(cyclopropylmethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 61001121
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 79366136
7-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75431760
2-(1-amino-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)ethanol
CID 65239684
(2R)-7-methoxy-N-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97326400
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
1-(2-hydroxyethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 55090777
1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
CID 60992597
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The IUPAC name of [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 61049568) is [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol.
What is the SMILES notation for [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The canonical SMILES for [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol is COc1ccc2c(c1)CCCC2(CO)NCC1CCCO1.
What is the InChIKey of [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
The InChIKey is OKWYWENBTSMVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-14-6-7-16-13(10-14)4-2-8-17(16,12-19)18-11-15-5-3-9-21-15/h6-7,10,15,18-19H,2-5,8-9,11-12H2,1H3.
What are the key properties of [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol?
[6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 291.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-1-(oxolan-2-ylmethylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 61049568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).