[(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol

C15H23NO2 — CID 10014964

IUPAC[(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
SMILESCCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CO
InChIInChI=1S/C15H23NO2/c1-3-9-16-13-8-7-11-5-4-6-14(18-2)15(11)12(13)10-17/h4-6,12-13,16-17H,3,7-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyJHZWCHHCPPHTLZ-CHWSQXEVSA-N
MW249.35 g/mol
LogP2.09
Rot. Bonds5

About [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol

[(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol (PubChem CID 10014964) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
PubChem CID10014964
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
SMILESCCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CO
InChIInChI=1S/C15H23NO2/c1-3-9-16-13-8-7-11-5-4-6-14(18-2)15(11)12(13)10-17/h4-6,12-13,16-17H,3,7-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyJHZWCHHCPPHTLZ-CHWSQXEVSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20714594
(1S,2R)-8-methoxy-N,1-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;O-methylhydroxylamine;hydrochloride
CID 70232746
[8-methoxy-2-(prop-2-enylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 15645423
(1S,2S)-8-methoxy-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67657910
(1R,2S)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 20714563
(1S,2R)-5-methoxy-1-prop-2-enyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 70232451
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
5-methoxy-N-propyl-1-(2-thiophen-2-yloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 70072275
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
2-(7-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
CID 105474790

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The IUPAC name of [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol (CID 10014964) is [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The canonical SMILES for [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol is CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CO.
What is the InChIKey of [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The InChIKey is JHZWCHHCPPHTLZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-9-16-13-8-7-11-5-4-6-14(18-2)15(11)12(13)10-17/h4-6,12-13,16-17H,3,7-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
[(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol has a molecular weight of 249.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-8-methoxy-2-(propylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 10014964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).