2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline

C18H21NO — CID 62497436

IUPAC2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
SMILESNc1ccccc1CCOC1CCCc2ccccc21
InChIInChI=1S/C18H21NO/c19-17-10-4-2-7-15(17)12-13-20-18-11-5-8-14-6-1-3-9-16(14)18/h1-4,6-7,9-10,18H,5,8,11-13,19H2
InChIKeySRPQAWHIRWNQEI-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.91
Rot. Bonds4

About 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline

2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline (PubChem CID 62497436) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
PubChem CID62497436
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
SMILESNc1ccccc1CCOC1CCCc2ccccc21
InChIInChI=1S/C18H21NO/c19-17-10-4-2-7-15(17)12-13-20-18-11-5-8-14-6-1-3-9-16(14)18/h1-4,6-7,9-10,18H,5,8,11-13,19H2
InChIKeySRPQAWHIRWNQEI-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 43519719
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 43443892
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 64814404
5-chloro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 62100757
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
2-[2-(2-methylcyclohexyl)oxyethyl]aniline
CID 62497263
2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-1-ol
CID 64803202
2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile
CID 63027618
2-[2-amino-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]acetonitrile
CID 102624855
2-(ethylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanamide
CID 63039289
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline?
The IUPAC name of 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline (CID 62497436) is 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline.
What is the SMILES notation for 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline?
The canonical SMILES for 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline is Nc1ccccc1CCOC1CCCc2ccccc21.
What is the InChIKey of 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline?
The InChIKey is SRPQAWHIRWNQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c19-17-10-4-2-7-15(17)12-13-20-18-11-5-8-14-6-1-3-9-16(14)18/h1-4,6-7,9-10,18H,5,8,11-13,19H2.
What are the key properties of 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline?
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]aniline is sourced from PubChem (CID 62497436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).