2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol

C18H27NO2 — CID 64810807

IUPAC2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
SMILESCC(CO)(CCOc1ccc2c(c1)CCCC2)NC1CC1
InChIInChI=1S/C18H27NO2/c1-18(13-20,19-16-7-8-16)10-11-21-17-9-6-14-4-2-3-5-15(14)12-17/h6,9,12,16,19-20H,2-5,7-8,10-11,13H2,1H3
InChIKeyYINRNQCILJDFQB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.84
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol

2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol (PubChem CID 64810807) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
PubChem CID64810807
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
SMILESCC(CO)(CCOc1ccc2c(c1)CCCC2)NC1CC1
InChIInChI=1S/C18H27NO2/c1-18(13-20,19-16-7-8-16)10-11-21-17-9-6-14-4-2-3-5-15(14)12-17/h6,9,12,16,19-20H,2-5,7-8,10-11,13H2,1H3
InChIKeyYINRNQCILJDFQB-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
CID 64802097
4-(2,3-dihydro-1H-inden-5-yloxy)-N,2-dimethylbutan-2-amine
CID 94686046
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol
CID 64810615
1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol
CID 64814616
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
2-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810805
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
(2S)-N-cyclopentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100702405
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
methyl 2-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yloxy)butanoate
CID 63039299

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol (CID 64810807) is 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol is CC(CO)(CCOc1ccc2c(c1)CCCC2)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
The InChIKey is YINRNQCILJDFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(13-20,19-16-7-8-16)10-11-21-17-9-6-14-4-2-3-5-15(14)12-17/h6,9,12,16,19-20H,2-5,7-8,10-11,13H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol?
2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol is sourced from PubChem (CID 64810807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).