2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol

C17H27NO2 — CID 79238909

IUPAC2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
SMILESCOc1ccc2c(c1)C(NC(CO)CC(C)C)CCC2
InChIInChI=1S/C17H27NO2/c1-12(2)9-14(11-19)18-17-6-4-5-13-7-8-15(20-3)10-16(13)17/h7-8,10,12,14,17-19H,4-6,9,11H2,1-3H3
InChIKeyRADKNPIUOCEAHX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.07
Rot. Bonds6

About 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol

2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol (PubChem CID 79238909) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
PubChem CID79238909
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
SMILESCOc1ccc2c(c1)C(NC(CO)CC(C)C)CCC2
InChIInChI=1S/C17H27NO2/c1-12(2)9-14(11-19)18-17-6-4-5-13-7-8-15(20-3)10-16(13)17/h7-8,10,12,14,17-19H,4-6,9,11H2,1-3H3
InChIKeyRADKNPIUOCEAHX-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol with MolForge

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Related Compounds

4-methoxy-3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butan-1-ol
CID 103785509
7-methoxy-N-(1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248596
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668
7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239504
(2S)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-methylbutan-1-ol
CID 79253979
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103905307
N-[1-(5-chlorothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230486
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol (CID 79238909) is 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol is COc1ccc2c(c1)C(NC(CO)CC(C)C)CCC2.
What is the InChIKey of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol?
The InChIKey is RADKNPIUOCEAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)9-14(11-19)18-17-6-4-5-13-7-8-15(20-3)10-16(13)17/h7-8,10,12,14,17-19H,4-6,9,11H2,1-3H3.
What are the key properties of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol?
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 79238909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).