N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine

C16H25NO — CID 55075397

IUPACN-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCCNCCCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25NO/c1-2-17-11-5-6-12-18-16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3
InChIKeyQNZPXDLYSYOUSK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds7

About N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine

N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (PubChem CID 55075397) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
PubChem CID55075397
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCCNCCCCOc1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25NO/c1-2-17-11-5-6-12-18-16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3
InChIKeyQNZPXDLYSYOUSK-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
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

5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
CID 82353891
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
CID 62484830
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanenitrile
CID 54965695
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The IUPAC name of N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (CID 55075397) is N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The canonical SMILES for N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is CCNCCCCOc1ccc2c(c1)CCCC2.
What is the InChIKey of N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The InChIKey is QNZPXDLYSYOUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-17-11-5-6-12-18-16-10-9-14-7-3-4-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3.
What are the key properties of N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is sourced from PubChem (CID 55075397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).