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

C13H19NO2 — CID 64803202

IUPAC2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
SMILESNC(CO)COC1CCCc2ccccc21
InChIInChI=1S/C13H19NO2/c14-11(8-15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13,15H,3,5,7-9,14H2
InChIKeyCHNFPTPHNVLQRU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.40
Rot. Bonds4

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

2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol (PubChem CID 64803202) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
PubChem CID64803202
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
SMILESNC(CO)COC1CCCc2ccccc21
InChIInChI=1S/C13H19NO2/c14-11(8-15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13,15H,3,5,7-9,14H2
InChIKeyCHNFPTPHNVLQRU-UHFFFAOYSA-N
XLogP1.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 64814404
1-[2-(bromomethyl)-3-methylbutoxy]-1,2,3,4-tetrahydronaphthalene
CID 65012285
1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene
CID 64994914
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
(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
(2R)-1-[2-hydroxyethyl(propyl)amino]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 124804735
1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
3-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)butane-1-sulfonamide
CID 65012895
1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110887836

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol?
The IUPAC name of 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol (CID 64803202) is 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol.
What is the SMILES notation for 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol?
The canonical SMILES for 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol is NC(CO)COC1CCCc2ccccc21.
What is the InChIKey of 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol?
The InChIKey is CHNFPTPHNVLQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-11(8-15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-2,4,6,11,13,15H,3,5,7-9,14H2.
What are the key properties of 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol?
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol is sourced from PubChem (CID 64803202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).