N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline

C18H24FNO — CID 133063996

IUPACN-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCOC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24FNO/c19-16-1-3-17(4-2-16)20-5-6-21-18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15,20H,5-12H2
InChIKeyRNTSLPOONZPKTK-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.22
Rot. Bonds5

About N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline

N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline (PubChem CID 133063996) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline
PubChem CID133063996
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCOC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24FNO/c19-16-1-3-17(4-2-16)20-5-6-21-18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15,20H,5-12H2
InChIKeyRNTSLPOONZPKTK-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.22
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

3-(Anilinomethyl)adamantan-1-ol;hydrochloride
CID 137651945
N-(5-hydroxyadamant-2-yl)-p-fluoroaniline
CID 12037666
N-(5-hydroxyadamant-2-yl)aniline
CID 2847327
4-[2-(4-Fluoroanilino)ethyl]adamantan-1-ol
CID 132275954
3-(Anilinomethyl)adamantan-1-ol
CID 132276190
N-[2-(1-adamantyloxy)ethyl]-4-(trifluoro-methyl)aniline
CID 133064412
Cambridge id 5470729
CID 2847326
N-[2-(2-adamantyloxy)ethyl]-2,4-difluoroaniline
CID 117951438
2,4-difluoro-N-[2-(2-tetracyclo[3.3.1.03,9.07,9]nonanyloxy)ethyl]aniline
CID 123365852
N-[2-[[(1S)-1,3-dimethyl-6-bicyclo[3.1.1]heptanyl]oxy]ethyl]-2,4-difluoroaniline
CID 144804946
(2R,4bS,8aS)-7-[1-[2-(4-fluoroanilino)ethoxy]ethyl]-2,7-dimethyl-1,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-ol
CID 164153111
[(2-Adamantanyloxyethyl)amino](phenylamino)methane-1-thione
CID 4999068

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline (CID 133063996) is N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline is Fc1ccc(NCCOC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline?
The InChIKey is RNTSLPOONZPKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c19-16-1-3-17(4-2-16)20-5-6-21-18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15,20H,5-12H2.
What are the key properties of N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline?
N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline has a molecular weight of 289.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyloxy)ethyl]-4-fluoroaniline is sourced from PubChem (CID 133063996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).