4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol

C18H29NO2 — CID 103784307

IUPAC4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H29NO2/c1-14(19-13-18(2,20)10-11-21-3)16-9-8-15-6-4-5-7-17(15)12-16/h8-9,12,14,19-20H,4-7,10-11,13H2,1-3H3
InChIKeyUZLGXGKXOLRFPZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.00
Rot. Bonds7

About 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol

4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol (PubChem CID 103784307) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
PubChem CID103784307
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
SMILESCOCCC(C)(O)CNC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H29NO2/c1-14(19-13-18(2,20)10-11-21-3)16-9-8-15-6-4-5-7-17(15)12-16/h8-9,12,14,19-20H,4-7,10-11,13H2,1-3H3
InChIKeyUZLGXGKXOLRFPZ-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol with MolForge

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Related Compounds

1-[1-(3,5-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784250
1-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784174
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
N,2,2-trimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917282
N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
CID 103784147
N-(2-propan-2-yloxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115574841
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255
1-[1-(2,6-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784261
ethyl 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetate
CID 54917644
3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66037730

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol (CID 103784307) is 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol is COCCC(C)(O)CNC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol?
The InChIKey is UZLGXGKXOLRFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(19-13-18(2,20)10-11-21-3)16-9-8-15-6-4-5-7-17(15)12-16/h8-9,12,14,19-20H,4-7,10-11,13H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol?
4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 103784307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).