2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine

C16H23NO — CID 116821081

IUPAC2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
SMILESCC1(C)CC(Oc2cccc3c2CCCC3)CN1
InChIInChI=1S/C16H23NO/c1-16(2)10-13(11-17-16)18-15-9-5-7-12-6-3-4-8-14(12)15/h5,7,9,13,17H,3-4,6,8,10-11H2,1-2H3
InChIKeyYBECJKWTOMSSIC-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.08
Rot. Bonds2

About 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine

2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine (PubChem CID 116821081) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
PubChem CID116821081
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
SMILESCC1(C)CC(Oc2cccc3c2CCCC3)CN1
InChIInChI=1S/C16H23NO/c1-16(2)10-13(11-17-16)18-15-9-5-7-12-6-3-4-8-14(12)15/h5,7,9,13,17H,3-4,6,8,10-11H2,1-2H3
InChIKeyYBECJKWTOMSSIC-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine
CID 26191920
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine
CID 26191291
4-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpyrrolidine
CID 116821079
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879726
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076749
5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate
CID 82118328
5,6,7,8-tetrahydronaphthalen-1-yl 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879398
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
8-(3,3-dimethylcyclopentyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075643
8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076747

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine?
The IUPAC name of 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine (CID 116821081) is 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine.
What is the SMILES notation for 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine?
The canonical SMILES for 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine is CC1(C)CC(Oc2cccc3c2CCCC3)CN1.
What is the InChIKey of 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine?
The InChIKey is YBECJKWTOMSSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)10-13(11-17-16)18-15-9-5-7-12-6-3-4-8-14(12)15/h5,7,9,13,17H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine?
2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine has a molecular weight of 245.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyrrolidine is sourced from PubChem (CID 116821081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).