3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol

C13H19NO2 — CID 115121860

IUPAC3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H19NO2/c15-9-13(16)8-14-12-6-5-10-3-1-2-4-11(10)7-12/h5-7,13-16H,1-4,8-9H2
InChIKeyIRQQMHQLXOHORK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.33
Rot. Bonds4

About 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol

3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol (PubChem CID 115121860) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
PubChem CID115121860
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H19NO2/c15-9-13(16)8-14-12-6-5-10-3-1-2-4-11(10)7-12/h5-7,13-16H,1-4,8-9H2
InChIKeyIRQQMHQLXOHORK-UHFFFAOYSA-N
XLogP1.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
1-(diethylamino)-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898879
2-[(5,6,7,8-tetrahydronaphthalen-2-ylamino)methyl]pent-4-yn-1-ol
CID 21470445
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
2-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115198218
N-(bromomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115261521
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)amino]propane-1,2-diol
CID 168597315
2-ethyl-N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115254752
2-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 115202278
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one
CID 168593696

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol (CID 115121860) is 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol is OCC(O)CNc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol?
The InChIKey is IRQQMHQLXOHORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-9-13(16)8-14-12-6-5-10-3-1-2-4-11(10)7-12/h5-7,13-16H,1-4,8-9H2.
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol?
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol has a molecular weight of 221.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol is sourced from PubChem (CID 115121860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).