6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

C22H26ClNO4 — CID 14751073

IUPAC6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESC#CCOc1ccccc1OCC(O)CNC1CCc2cc(O)ccc2C1.Cl
InChIInChI=1S/C22H25NO4.ClH/c1-2-11-26-21-5-3-4-6-22(21)27-15-20(25)14-23-18-9-7-17-13-19(24)10-8-16(17)12-18;/h1,3-6,8,10,13,18,20,23-25H,7,9,11-12,14-15H2;1H
InChIKeyCMNBSPDTCZEVMY-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.71
Rot. Bonds8

About 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride

6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (PubChem CID 14751073) has the molecular formula C22H26ClNO4 and a molecular weight of 403.91 g/mol. Its IUPAC name is 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
PubChem CID14751073
Molecular FormulaC22H26ClNO4
Molecular Weight403.91 g/mol
Exact Mass403.16
IUPAC Name6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
SMILESC#CCOc1ccccc1OCC(O)CNC1CCc2cc(O)ccc2C1.Cl
InChIInChI=1S/C22H25NO4.ClH/c1-2-11-26-21-5-3-4-6-22(21)27-15-20(25)14-23-18-9-7-17-13-19(24)10-8-16(17)12-18;/h1,3-6,8,10,13,18,20,23-25H,7,9,11-12,14-15H2;1H
InChIKeyCMNBSPDTCZEVMY-UHFFFAOYSA-N
XLogP2.71
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride with MolForge

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Related Compounds

1-(2-methoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol
CID 14751044
4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 14750994
1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 14751068
1-(1,2-benzothiazol-4-yloxy)-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14750999
1-[(3-methyl-1,2-benzoxazol-4-yl)oxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14751001
(7S)-7-[[(2R)-2-hydroxy-2-phenylethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10085243
6-[[2-hydroxy-2-(1-hydroxycyclopentyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 138017493
5-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14750950
1-(cyclobutylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 62414951
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
1-[4-(4,5,6,7-tetrahydro-1-benzofuran-2-yl)phenoxy]-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propan-2-ol;hydrochloride
CID 14750973
(6S)-6-(benzylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 54398610

Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The IUPAC name of 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride (CID 14751073) is 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride.
What is the SMILES notation for 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The canonical SMILES for 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is C#CCOc1ccccc1OCC(O)CNC1CCc2cc(O)ccc2C1.Cl.
What is the InChIKey of 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
The InChIKey is CMNBSPDTCZEVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4.ClH/c1-2-11-26-21-5-3-4-6-22(21)27-15-20(25)14-23-18-9-7-17-13-19(24)10-8-16(17)12-18;/h1,3-6,8,10,13,18,20,23-25H,7,9,11-12,14-15H2;1H.
What are the key properties of 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride?
6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride is sourced from PubChem (CID 14751073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).