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

C23H29NO2 — CID 4555077

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESOC(CNC1CCCc2ccccc21)COC1CCCc2ccccc21
InChIInChI=1S/C23H29NO2/c25-19(15-24-22-13-5-9-17-7-1-3-11-20(17)22)16-26-23-14-6-10-18-8-2-4-12-21(18)23/h1-4,7-8,11-12,19,22-25H,5-6,9-10,13-16H2
InChIKeyPRXXGFMGYYSMHT-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.11
Rot. Bonds6

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

1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (PubChem CID 4555077) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
PubChem CID4555077
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESOC(CNC1CCCc2ccccc21)COC1CCCc2ccccc21
InChIInChI=1S/C23H29NO2/c25-19(15-24-22-13-5-9-17-7-1-3-11-20(17)22)16-26-23-14-6-10-18-8-2-4-12-21(18)23/h1-4,7-8,11-12,19,22-25H,5-6,9-10,13-16H2
InChIKeyPRXXGFMGYYSMHT-UHFFFAOYSA-N
XLogP4.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 25473248
1-[[3-(1,2-oxazol-3-yl)cyclobutyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 167774741
(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol
CID 2520495
1-(diethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60710571
1-(2-prop-2-ynoxyphenoxy)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 14751068
2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propane-1-sulfonic acid
CID 58931844
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
(2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2118228
1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701
(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (CID 4555077) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is OC(CNC1CCCc2ccccc21)COC1CCCc2ccccc21.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The InChIKey is PRXXGFMGYYSMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c25-19(15-24-22-13-5-9-17-7-1-3-11-20(17)22)16-26-23-14-6-10-18-8-2-4-12-21(18)23/h1-4,7-8,11-12,19,22-25H,5-6,9-10,13-16H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol has a molecular weight of 351.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is sourced from PubChem (CID 4555077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).