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

C18H24FN — CID 133064775

IUPACN-[2-(1-adamantyl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24FN/c19-16-1-3-17(4-2-16)20-6-5-18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15,20H,5-12H2
InChIKeyGKQPRIKNBYTPDU-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.84
Rot. Bonds4

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

N-[2-(1-adamantyl)ethyl]-4-fluoroaniline (PubChem CID 133064775) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-4-fluoroaniline
PubChem CID133064775
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC NameN-[2-(1-adamantyl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24FN/c19-16-1-3-17(4-2-16)20-6-5-18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15,20H,5-12H2
InChIKeyGKQPRIKNBYTPDU-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Adamantylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 56682986
N-[1-(Adamantan-1-yl)methyl]-N'-(2-fluoro-phenyl)urea
CID 108870358
N-(4-fluorophenyl)adamantane-1-carboxamide
CID 331251
N-[(Adamantan-1-yl)methyl]-N'-(4-fluoro-phenyl)thiourea
CID 8744203
N-[1-(Adamantan-1-yl)ethyl]-N'-(3-fluoro-phenyl)thiourea
CID 19651576
N-[(Adamantan-1-yl)methyl]-N'-(3-fluoro-phenyl)thiourea
CID 20173062
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]piperazine
CID 70683538
N-[1-(Adamantan-1-yl)ethyl]-N'-(2-fluoro-phenyl)urea
CID 108866816
N-[2-(Adamantan-1-yl)ethyl]-N'-(4-fluoro-phenyl)thiourea
CID 135393726
N-[2-(Adamantan-1-yl)ethyl]-N'-(3-fluoro-phenyl)thiourea
CID 135393727
N-(1-adamantylmethyl)-2-ethylaniline;hydrochloride
CID 137632482
2-(1-Adamantylmethyl)-1-cyano-3-(3-fluorophenyl)guanidine
CID 137638655

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-fluoroaniline (CID 133064775) is N-[2-(1-adamantyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-fluoroaniline is Fc1ccc(NCCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-4-fluoroaniline?
The InChIKey is GKQPRIKNBYTPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c19-16-1-3-17(4-2-16)20-6-5-18-10-13-7-14(11-18)9-15(8-13)12-18/h1-4,13-15,20H,5-12H2.
What are the key properties of N-[2-(1-adamantyl)ethyl]-4-fluoroaniline?
N-[2-(1-adamantyl)ethyl]-4-fluoroaniline has a molecular weight of 273.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 133064775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).