2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

C16H23NO2 — CID 62972576

IUPAC2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CN(C2CCc3ccccc3C2O)CCCO1
InChIInChI=1S/C16H23NO2/c1-12-11-17(9-4-10-19-12)15-8-7-13-5-2-3-6-14(13)16(15)18/h2-3,5-6,12,15-16,18H,4,7-11H2,1H3
InChIKeyWXJOGSIZYPSBFL-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.15
Rot. Bonds1

About 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 62972576) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID62972576
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CN(C2CCc3ccccc3C2O)CCCO1
InChIInChI=1S/C16H23NO2/c1-12-11-17(9-4-10-19-12)15-8-7-13-5-2-3-6-14(13)16(15)18/h2-3,5-6,12,15-16,18H,4,7-11H2,1H3
InChIKeyWXJOGSIZYPSBFL-UHFFFAOYSA-N
XLogP2.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol with MolForge

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Related Compounds

1-[(2R,3R)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-phenylpiperidin-4-ol
CID 122181073
(4R,5R)-4-methyl-3-(5-phenylpentyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 145970297
(4R,5R)-4-methyl-3-(4-phenylbutyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 145978275
(R)-3-Dipropylamino-1,2,3,4-tetrahydro-naphthalen-1-ol
CID 44320901
(S)-3-Dipropylamino-1,2,3,4-tetrahydro-naphthalen-1-ol
CID 44321342
1-(Benzyloxy)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 42663
(1R,2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol;dihydrochloride
CID 90664661
2-(Butylamino)tetralin-1-ol
CID 49770165
2-(Octylamino)tetralin-1-ol
CID 49770170
2-(Nonylamino)tetralin-1-ol
CID 49770176
2-(Decylamino)tetralin-1-ol
CID 49770181
2-(Tridecylamino)tetralin-1-ol
CID 49770253

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 62972576) is 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CN(C2CCc3ccccc3C2O)CCCO1.
What is the InChIKey of 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is WXJOGSIZYPSBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-11-17(9-4-10-19-12)15-8-7-13-5-2-3-6-14(13)16(15)18/h2-3,5-6,12,15-16,18H,4,7-11H2,1H3.
What are the key properties of 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 62972576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).