N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline

C16H25FN2 — CID 80705980

IUPACN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline
SMILESCCN(c1ccc(F)cc1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C16H25FN2/c1-4-19(14-7-5-13(17)6-8-14)16(12-18)10-9-15(2,3)11-16/h5-8H,4,9-12,18H2,1-3H3
InChIKeyXOKGALPQIUJEAE-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds4

About N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline

N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline (PubChem CID 80705980) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline
PubChem CID80705980
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline
SMILESCCN(c1ccc(F)cc1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C16H25FN2/c1-4-19(14-7-5-13(17)6-8-14)16(12-18)10-9-15(2,3)11-16/h5-8H,4,9-12,18H2,1-3H3
InChIKeyXOKGALPQIUJEAE-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline?
The IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline (CID 80705980) is N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline?
The canonical SMILES for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline is CCN(c1ccc(F)cc1)C1(CN)CCC(C)(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline?
The InChIKey is XOKGALPQIUJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-19(14-7-5-13(17)6-8-14)16(12-18)10-9-15(2,3)11-16/h5-8H,4,9-12,18H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline?
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 80705980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).