N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline

C14H20FN — CID 80704928

IUPACN-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NC1CCC(C)(C)C1
InChIInChI=1S/C14H20FN/c1-10-12(15)5-4-6-13(10)16-11-7-8-14(2,3)9-11/h4-6,11,16H,7-9H2,1-3H3
InChIKeyZOXLDPPISBAMJH-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.12
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline

N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline (PubChem CID 80704928) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline
PubChem CID80704928
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline
SMILESCc1c(F)cccc1NC1CCC(C)(C)C1
InChIInChI=1S/C14H20FN/c1-10-12(15)5-4-6-13(10)16-11-7-8-14(2,3)9-11/h4-6,11,16H,7-9H2,1-3H3
InChIKeyZOXLDPPISBAMJH-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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline (CID 80704928) is N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline is Cc1c(F)cccc1NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline?
The InChIKey is ZOXLDPPISBAMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-12(15)5-4-6-13(10)16-11-7-8-14(2,3)9-11/h4-6,11,16H,7-9H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline?
N-(3,3-dimethylcyclopentyl)-3-fluoro-2-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)-3-fluoro-2-methylaniline is sourced from PubChem (CID 80704928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).