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

C16H25NO — CID 62571109

IUPACN-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOC1CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-3-13(2)17-11-12-18-16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,13,16-17H,3,6,8,10-12H2,1-2H3
InChIKeyKUOSESNWUWEFEP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds6

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

N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine (PubChem CID 62571109) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
PubChem CID62571109
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOC1CCCc2ccccc21
InChIInChI=1S/C16H25NO/c1-3-13(2)17-11-12-18-16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,13,16-17H,3,6,8,10-12H2,1-2H3
InChIKeyKUOSESNWUWEFEP-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
CID 62455421
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-2-amine
CID 62042774
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 95906107
1-[(2R)-4-hydroxybutan-2-yl]-3-[3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]urea
CID 97086994
2-(ethylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanamide
CID 63039289
1-[2-(bromomethyl)butoxy]-1,2,3,4-tetrahydronaphthalene
CID 64994914
2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111792021
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile
CID 63027618
1-amino-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 64814404

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine?
The IUPAC name of N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine (CID 62571109) is N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine is CCC(C)NCCOC1CCCc2ccccc21.
What is the InChIKey of N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine?
The InChIKey is KUOSESNWUWEFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13(2)17-11-12-18-16-10-6-8-14-7-4-5-9-15(14)16/h4-5,7,9,13,16-17H,3,6,8,10-12H2,1-2H3.
What are the key properties of N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine?
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine is sourced from PubChem (CID 62571109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).