N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline

C16H25FN2 — CID 80705886

IUPACN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline
SMILESCCN(c1ccccc1F)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C16H25FN2/c1-4-19(14-8-6-5-7-13(14)17)16(12-18)10-9-15(2,3)11-16/h5-8H,4,9-12,18H2,1-3H3
InChIKeyAXDGBFHGJVYXSI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds4

About N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline

N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline (PubChem CID 80705886) 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-2-fluoroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline
PubChem CID80705886
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline
SMILESCCN(c1ccccc1F)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C16H25FN2/c1-4-19(14-8-6-5-7-13(14)17)16(12-18)10-9-15(2,3)11-16/h5-8H,4,9-12,18H2,1-3H3
InChIKeyAXDGBFHGJVYXSI-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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Related Compounds

N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-4-fluoroaniline
CID 80705980
N-[1-(aminomethyl)-3-methylcyclobutyl]-N-ethyl-2-fluoroaniline
CID 103562823
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-phenylcycloheptan-1-amine
CID 65088557
1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 80706158
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-ethyl-2-fluoroaniline
CID 81170812
3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)oxolan-3-amine
CID 63335056
1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 80705437
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline
CID 64622975
1-(aminomethyl)-N-benzyl-N-ethyl-4,4-dimethylcycloheptan-1-amine
CID 65088362
N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
CID 106661084
1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
CID 80705971
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline (CID 80705886) is N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline is CCN(c1ccccc1F)C1(CN)CCC(C)(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-fluoroaniline?
The InChIKey is AXDGBFHGJVYXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-19(14-8-6-5-7-13(14)17)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-2-fluoroaniline?
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-ethyl-2-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-2-fluoroaniline is sourced from PubChem (CID 80705886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).