7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol

C21H25NO — CID 174672748

IUPAC7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=Cc1ccccc1N(CCC)C1CCc2cccc(O)c2C1
InChIInChI=1S/C21H25NO/c1-3-14-22(20-10-6-5-8-16(20)4-2)18-13-12-17-9-7-11-21(23)19(17)15-18/h4-11,18,23H,2-3,12-15H2,1H3
InChIKeyLBXSQIGDRZFWOK-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.81
Rot. Bonds5

About 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol

7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 174672748) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID174672748
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC=Cc1ccccc1N(CCC)C1CCc2cccc(O)c2C1
InChIInChI=1S/C21H25NO/c1-3-14-22(20-10-6-5-8-16(20)4-2)18-13-12-17-9-7-11-21(23)19(17)15-18/h4-11,18,23H,2-3,12-15H2,1H3
InChIKeyLBXSQIGDRZFWOK-UHFFFAOYSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxyimipramine
CID 108051
(R)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754478
(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 44588498
4-(Benzylamino)-1-naphthol
CID 17937479
4-(Isopropylamino)-1-naphthol
CID 44465702
4-(2-(Diethylamino)ethylamino)-1-naphthol
CID 44466196
4-(Pent-3-ylamino)-1-naphthol
CID 45487171
7-((2-(4-Phenyl-piperazin-1-yl)-ethyl)-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 10178704
(+)-7-{[4-(4-Phenylpiperazin-1-yl)butyl]prop-2-ynylamino}-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10364677
(+)-7-[(4-(4-Phenylpiperazin-1-yl)butyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22261332
(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754542
4-(Tert-butylamino)naphthalen-1-ol
CID 44465947

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 174672748) is 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol is C=Cc1ccccc1N(CCC)C1CCc2cccc(O)c2C1.
What is the InChIKey of 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is LBXSQIGDRZFWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-14-22(20-10-6-5-8-16(20)4-2)18-13-12-17-9-7-11-21(23)19(17)15-18/h4-11,18,23H,2-3,12-15H2,1H3.
What are the key properties of 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol?
7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 307.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethenyl-N-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 174672748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).