1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol

C22H25NO3 — CID 14751068

IUPAC1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
SMILESC#CCOc1ccccc1OCC(O)CNC1CCCc2ccccc21
InChIInChI=1S/C22H25NO3/c1-2-14-25-21-12-5-6-13-22(21)26-16-18(24)15-23-20-11-7-9-17-8-3-4-10-19(17)20/h1,3-6,8,10,12-13,18,20,23-24H,7,9,11,14-16H2
InChIKeyFQFPLUAJRZJCNX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.11
Rot. Bonds8

About 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol

1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol (PubChem CID 14751068) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
PubChem CID14751068
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
SMILESC#CCOc1ccccc1OCC(O)CNC1CCCc2ccccc21
InChIInChI=1S/C22H25NO3/c1-2-14-25-21-12-5-6-13-22(21)26-16-18(24)15-23-20-11-7-9-17-8-3-4-10-19(17)20/h1,3-6,8,10,12-13,18,20,23-24H,7,9,11,14-16H2
InChIKeyFQFPLUAJRZJCNX-UHFFFAOYSA-N
XLogP3.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol
CID 2520495
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
6-[[2-hydroxy-3-(2-prop-2-ynoxyphenoxy)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 14751073
2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propane-1-sulfonic acid
CID 58931844
1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60710571
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 66091347
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729065
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
(2-prop-2-ynoxyphenyl) 2-(2,3-dihydro-1H-inden-1-yl)acetate
CID 86955832
N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456133
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The IUPAC name of 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol (CID 14751068) is 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol is C#CCOc1ccccc1OCC(O)CNC1CCCc2ccccc21.
What is the InChIKey of 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The InChIKey is FQFPLUAJRZJCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-14-25-21-12-5-6-13-22(21)26-16-18(24)15-23-20-11-7-9-17-8-3-4-10-19(17)20/h1,3-6,8,10,12-13,18,20,23-24H,7,9,11,14-16H2.
What are the key properties of 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol?
1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol has a molecular weight of 351.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol is sourced from PubChem (CID 14751068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).