N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine

C18H23NO — CID 178091325

IUPACN,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine
SMILESCN(C)CCc1cccc2cccc([C@H]3CCOC3)c12
InChIInChI=1S/C18H23NO/c1-19(2)11-9-15-6-3-5-14-7-4-8-17(18(14)15)16-10-12-20-13-16/h3-8,16H,9-13H2,1-2H3/t16-/m0/s1
InChIKeyLIXGHZRBSNUSJS-INIZCTEOSA-N
MW269.39 g/mol
LogP3.45
Rot. Bonds4

About N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine

N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine (PubChem CID 178091325) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine
PubChem CID178091325
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine
SMILESCN(C)CCc1cccc2cccc([C@H]3CCOC3)c12
InChIInChI=1S/C18H23NO/c1-19(2)11-9-15-6-3-5-14-7-4-8-17(18(14)15)16-10-12-20-13-16/h3-8,16H,9-13H2,1-2H3/t16-/m0/s1
InChIKeyLIXGHZRBSNUSJS-INIZCTEOSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine (CID 178091325) is N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine is CN(C)CCc1cccc2cccc([C@H]3CCOC3)c12.
What is the InChIKey of N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine?
The InChIKey is LIXGHZRBSNUSJS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23NO/c1-19(2)11-9-15-6-3-5-14-7-4-8-17(18(14)15)16-10-12-20-13-16/h3-8,16H,9-13H2,1-2H3/t16-/m0/s1.
What are the key properties of N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine?
N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[8-[(3R)-oxolan-3-yl]naphthalen-1-yl]ethanamine is sourced from PubChem (CID 178091325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).