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

C14H21NO2 — CID 114094230

IUPAC3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
SMILESCOCC(CO)NC1CCCc2ccccc21
InChIInChI=1S/C14H21NO2/c1-17-10-12(9-16)15-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14-16H,4,6,8-10H2,1H3
InChIKeyQXYSUXLWQZGLNZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds5

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

3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol (PubChem CID 114094230) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
PubChem CID114094230
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol
SMILESCOCC(CO)NC1CCCc2ccccc21
InChIInChI=1S/C14H21NO2/c1-17-10-12(9-16)15-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14-16H,4,6,8-10H2,1H3
InChIKeyQXYSUXLWQZGLNZ-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-1-ol
CID 103785520
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
5-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 114094252
4-methoxy-3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butan-1-ol
CID 103785509
1-methoxy-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butan-2-ol
CID 103905995
1-(1-methoxypropan-2-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 46800324
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methoxypropan-1-ol
CID 106187476
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103799339

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol?
The IUPAC name of 3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol (CID 114094230) is 3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol?
The canonical SMILES for 3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol is COCC(CO)NC1CCCc2ccccc21.
What is the InChIKey of 3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol?
The InChIKey is QXYSUXLWQZGLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-10-12(9-16)15-14-8-4-6-11-5-2-3-7-13(11)14/h2-3,5,7,12,14-16H,4,6,8-10H2,1H3.
What are the key properties of 3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol?
3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-1-ol is sourced from PubChem (CID 114094230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).