2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol

C17H27NO2 — CID 64810615

IUPAC2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol
SMILESCCCNC(C)(CO)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27NO2/c1-3-10-18-17(2,12-19)13-20-16-9-8-14-6-4-5-7-15(14)11-16/h8-9,11,18-19H,3-7,10,12-13H2,1-2H3
InChIKeyVODGVEDTMORZQJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.69
Rot. Bonds7

About 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol

2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol (PubChem CID 64810615) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol
PubChem CID64810615
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol
SMILESCCCNC(C)(CO)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H27NO2/c1-3-10-18-17(2,12-19)13-20-16-9-8-14-6-4-5-7-15(14)11-16/h8-9,11,18-19H,3-7,10,12-13H2,1-2H3
InChIKeyVODGVEDTMORZQJ-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64803556
2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810807
N,2,2-trimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 79628455
N-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 88611694
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
CID 43166218
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol (CID 64810615) is 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol is CCCNC(C)(CO)COc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol?
The InChIKey is VODGVEDTMORZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-10-18-17(2,12-19)13-20-16-9-8-14-6-4-5-7-15(14)11-16/h8-9,11,18-19H,3-7,10,12-13H2,1-2H3.
What are the key properties of 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol?
2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-ol is sourced from PubChem (CID 64810615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).