N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine

C17H27NO — CID 54424461

IUPACN,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
SMILESCCN(CC)CCC1CCc2ccccc2C1OC
InChIInChI=1S/C17H27NO/c1-4-18(5-2)13-12-15-11-10-14-8-6-7-9-16(14)17(15)19-3/h6-9,15,17H,4-5,10-13H2,1-3H3
InChIKeyWDBYNOCLLYZEES-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds6

About N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine

N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 54424461) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID54424461
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
SMILESCCN(CC)CCC1CCc2ccccc2C1OC
InChIInChI=1S/C17H27NO/c1-4-18(5-2)13-12-15-11-10-14-8-6-7-9-16(14)17(15)19-3/h6-9,15,17H,4-5,10-13H2,1-3H3
InChIKeyWDBYNOCLLYZEES-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine (CID 54424461) is N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine is CCN(CC)CCC1CCc2ccccc2C1OC.
What is the InChIKey of N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is WDBYNOCLLYZEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18(5-2)13-12-15-11-10-14-8-6-7-9-16(14)17(15)19-3/h6-9,15,17H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine?
N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 54424461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).