4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline

C18H21NO — CID 82092333

IUPAC4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline
SMILESNc1ccc(CCOc2cccc3c2CCCC3)cc1
InChIInChI=1S/C18H21NO/c19-16-10-8-14(9-11-16)12-13-20-18-7-3-5-15-4-1-2-6-17(15)18/h3,5,7-11H,1-2,4,6,12-13,19H2
InChIKeyVRJMPQCVIWFTEC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.77
Rot. Bonds4

About 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline

4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline (PubChem CID 82092333) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline
PubChem CID82092333
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline
SMILESNc1ccc(CCOc2cccc3c2CCCC3)cc1
InChIInChI=1S/C18H21NO/c19-16-10-8-14(9-11-16)12-13-20-18-7-3-5-15-4-1-2-6-17(15)18/h3,5,7-11H,1-2,4,6,12-13,19H2
InChIKeyVRJMPQCVIWFTEC-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylsulfanyl]aniline
CID 39422790
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 11310357
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-5-amine
CID 82299255
(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
CID 112508761
4-[2-(2-iodophenoxy)ethyl]aniline
CID 43519777
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
CID 116820578
[6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-pyridinyl]methanamine
CID 116820253
2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141020951
5-[2-[2-(4-aminophenyl)ethyl-methylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 54559605

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline?
The IUPAC name of 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline (CID 82092333) is 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline.
What is the SMILES notation for 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline?
The canonical SMILES for 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline is Nc1ccc(CCOc2cccc3c2CCCC3)cc1.
What is the InChIKey of 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline?
The InChIKey is VRJMPQCVIWFTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-16-10-8-14(9-11-16)12-13-20-18-7-3-5-15-4-1-2-6-17(15)18/h3,5,7-11H,1-2,4,6,12-13,19H2.
What are the key properties of 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline?
4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline is sourced from PubChem (CID 82092333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).