N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline

C14H20FN — CID 80705669

IUPACN-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
SMILESCc1cc(NC2CCC(C)(C)C2)ccc1F
InChIInChI=1S/C14H20FN/c1-10-8-11(4-5-13(10)15)16-12-6-7-14(2,3)9-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyWGZDYJIVDYTDRX-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.12
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline

N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline (PubChem CID 80705669) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
PubChem CID80705669
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
SMILESCc1cc(NC2CCC(C)(C)C2)ccc1F
InChIInChI=1S/C14H20FN/c1-10-8-11(4-5-13(10)15)16-12-6-7-14(2,3)9-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyWGZDYJIVDYTDRX-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-fluoro-3-methylaniline
CID 83694970
3-chloro-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80692538
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80706050
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline
CID 114543506
N-(3,3-dimethylcyclopentyl)-3,5-difluoroaniline
CID 80693379
1-N-(3,3-dimethylcyclopentyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590811
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline
CID 107363930
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 80693397
N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
CID 80692653
N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline
CID 80704928
N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 80706215

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline (CID 80705669) is N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline is Cc1cc(NC2CCC(C)(C)C2)ccc1F.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline?
The InChIKey is WGZDYJIVDYTDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-8-11(4-5-13(10)15)16-12-6-7-14(2,3)9-12/h4-5,8,12,16H,6-7,9H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline?
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline has a molecular weight of 221.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline is sourced from PubChem (CID 80705669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).