6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol

C18H21NO — CID 138810919

IUPAC6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol
SMILESCCC12CC1CN(Cc1ccc3cc(O)ccc3c1)C2
InChIInChI=1S/C18H21NO/c1-2-18-9-16(18)11-19(12-18)10-13-3-4-15-8-17(20)6-5-14(15)7-13/h3-8,16,20H,2,9-12H2,1H3
InChIKeyABCMPJWRMPCHCJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.78
Rot. Bonds3

About 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol

6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol (PubChem CID 138810919) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol
PubChem CID138810919
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol
SMILESCCC12CC1CN(Cc1ccc3cc(O)ccc3c1)C2
InChIInChI=1S/C18H21NO/c1-2-18-9-16(18)11-19(12-18)10-13-3-4-15-8-17(20)6-5-14(15)7-13/h3-8,16,20H,2,9-12H2,1H3
InChIKeyABCMPJWRMPCHCJ-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,5R)-3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 99109794
1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone
CID 123847474
[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 102547836
[(1S,5S)-3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-1-yl]methanamine
CID 124845102
6-[[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]methyl]naphthalen-2-ol
CID 154817847
ethane;6-propylnaphthalen-2-ol
CID 171088500
4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82975258
3-[(3-fluoro-4-methoxyphenyl)methyl]-1-[(4-fluoro-3-methylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 171935829
6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol
CID 77078615
2-(2,6-dimethyl-4-pyridinyl)-1-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
CID 138805984
1-[(6-ethylnaphthalen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 144687726
6-(2-hydroxypropyl)naphthalen-2-ol
CID 19933724

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol?
The IUPAC name of 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol (CID 138810919) is 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol is CCC12CC1CN(Cc1ccc3cc(O)ccc3c1)C2.
What is the InChIKey of 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol?
The InChIKey is ABCMPJWRMPCHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-18-9-16(18)11-19(12-18)10-13-3-4-15-8-17(20)6-5-14(15)7-13/h3-8,16,20H,2,9-12H2,1H3.
What are the key properties of 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol?
6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol has a molecular weight of 267.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 138810919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).