N-(1-adamantylmethyl)-4-fluoroaniline

C17H22FN — CID 4913128

IUPACN-(1-adamantylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H22FN/c18-15-1-3-16(4-2-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2
InChIKeyWTYOFOJNWQRFFW-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.45
Rot. Bonds3

About N-(1-adamantylmethyl)-4-fluoroaniline

N-(1-adamantylmethyl)-4-fluoroaniline (PubChem CID 4913128) has the molecular formula C17H22FN and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-fluoroaniline
PubChem CID4913128
Molecular FormulaC17H22FN
Molecular Weight259.37 g/mol
Exact Mass259.17
IUPAC NameN-(1-adamantylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H22FN/c18-15-1-3-16(4-2-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2
InChIKeyWTYOFOJNWQRFFW-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-adamantylmethyl)-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-fluoroaniline?
The IUPAC name of N-(1-adamantylmethyl)-4-fluoroaniline (CID 4913128) is N-(1-adamantylmethyl)-4-fluoroaniline.
What is the SMILES notation for N-(1-adamantylmethyl)-4-fluoroaniline?
The canonical SMILES for N-(1-adamantylmethyl)-4-fluoroaniline is Fc1ccc(NCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantylmethyl)-4-fluoroaniline?
The InChIKey is WTYOFOJNWQRFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN/c18-15-1-3-16(4-2-15)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,12-14,19H,5-11H2.
What are the key properties of N-(1-adamantylmethyl)-4-fluoroaniline?
N-(1-adamantylmethyl)-4-fluoroaniline has a molecular weight of 259.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-fluoroaniline is sourced from PubChem (CID 4913128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).