2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline

C14H21FN2 — CID 114065952

IUPAC2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
SMILESCN(c1cccc(F)c1CCN)C1CCCC1
InChIInChI=1S/C14H21FN2/c1-17(11-5-2-3-6-11)14-8-4-7-13(15)12(14)9-10-16/h4,7-8,11H,2-3,5-6,9-10,16H2,1H3
InChIKeyISIKHVYPZGVKOA-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.71
Rot. Bonds4

About 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline

2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline (PubChem CID 114065952) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
PubChem CID114065952
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline
SMILESCN(c1cccc(F)c1CCN)C1CCCC1
InChIInChI=1S/C14H21FN2/c1-17(11-5-2-3-6-11)14-8-4-7-13(15)12(14)9-10-16/h4,7-8,11H,2-3,5-6,9-10,16H2,1H3
InChIKeyISIKHVYPZGVKOA-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 79516525
N-cyclopentyl-3-fluoro-N,2-dimethylaniline
CID 66962308
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
CID 114879451
2-(2-aminoethyl)-3-chloro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 55235233
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
N-[2-(2-aminoethyl)-3-chlorophenyl]-N-methyloxan-4-amine
CID 63782228
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
CID 115650123
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608
N-cyclopropyl-2-fluoro-N-methylaniline;hydrochloride
CID 138393814

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline?
The IUPAC name of 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline (CID 114065952) is 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline is CN(c1cccc(F)c1CCN)C1CCCC1.
What is the InChIKey of 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline?
The InChIKey is ISIKHVYPZGVKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-17(11-5-2-3-6-11)14-8-4-7-13(15)12(14)9-10-16/h4,7-8,11H,2-3,5-6,9-10,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline?
2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline has a molecular weight of 236.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-cyclopentyl-3-fluoro-N-methylaniline is sourced from PubChem (CID 114065952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).