N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C19H29NO2 — CID 130217098

IUPACN-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCN(CCOC1CCCCO1)C1CCCc2ccccc21
InChIInChI=1S/C19H29NO2/c1-2-20(13-15-22-19-12-5-6-14-21-19)18-11-7-9-16-8-3-4-10-17(16)18/h3-4,8,10,18-19H,2,5-7,9,11-15H2,1H3
InChIKeyPMHOWODNSAQJIN-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.93
Rot. Bonds6

About N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 130217098) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID130217098
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCN(CCOC1CCCCO1)C1CCCc2ccccc21
InChIInChI=1S/C19H29NO2/c1-2-20(13-15-22-19-12-5-6-14-21-19)18-11-7-9-16-8-3-4-10-17(16)18/h3-4,8,10,18-19H,2,5-7,9,11-15H2,1H3
InChIKeyPMHOWODNSAQJIN-UHFFFAOYSA-N
XLogP3.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 130217098) is N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CCN(CCOC1CCCCO1)C1CCCc2ccccc21.
What is the InChIKey of N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PMHOWODNSAQJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-20(13-15-22-19-12-5-6-14-21-19)18-11-7-9-16-8-3-4-10-17(16)18/h3-4,8,10,18-19H,2,5-7,9,11-15H2,1H3.
What are the key properties of N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 303.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(oxan-2-yloxy)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 130217098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).