1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol

C16H25NO2 — CID 60897291

IUPAC1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
SMILESCC(C)OCC(O)CNc1cccc2c1CCCC2
InChIInChI=1S/C16H25NO2/c1-12(2)19-11-14(18)10-17-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3
InChIKeyBFERXHSRGONDOY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.76
Rot. Bonds6

About 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol

1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol (PubChem CID 60897291) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
PubChem CID60897291
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
SMILESCC(C)OCC(O)CNc1cccc2c1CCCC2
InChIInChI=1S/C16H25NO2/c1-12(2)19-11-14(18)10-17-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3
InChIKeyBFERXHSRGONDOY-UHFFFAOYSA-N
XLogP2.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617
3,3-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
CID 114265228
5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 117068983
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 55233075
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43538421
N-(2,2-difluoroethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
CID 60922527
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
1-morpholin-4-yl-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897292
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666
1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
CID 60899958
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol (CID 60897291) is 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol is CC(C)OCC(O)CNc1cccc2c1CCCC2.
What is the InChIKey of 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol?
The InChIKey is BFERXHSRGONDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)19-11-14(18)10-17-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol?
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol is sourced from PubChem (CID 60897291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).