2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline

C13H19FN2 — CID 43264288

IUPAC2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
SMILESCCN(c1cccc(F)c1C(C)N)C1CC1
InChIInChI=1S/C13H19FN2/c1-3-16(10-7-8-10)12-6-4-5-11(14)13(12)9(2)15/h4-6,9-10H,3,7-8,15H2,1-2H3
InChIKeyDUUOUFNAWHESRT-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.83
Rot. Bonds4

About 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline

2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline (PubChem CID 43264288) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
PubChem CID43264288
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
SMILESCCN(c1cccc(F)c1C(C)N)C1CC1
InChIInChI=1S/C13H19FN2/c1-3-16(10-7-8-10)12-6-4-5-11(14)13(12)9(2)15/h4-6,9-10H,3,7-8,15H2,1-2H3
InChIKeyDUUOUFNAWHESRT-UHFFFAOYSA-N
XLogP2.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55189954
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
CID 63369402
(1R)-1-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6-fluorophenyl]ethanol
CID 63372772
1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63369298
2-[(1S)-1-aminoethyl]-3-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188889
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
(1R)-1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-6-fluorophenyl]ethanol
CID 63371267

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline?
The IUPAC name of 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline (CID 43264288) is 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline?
The canonical SMILES for 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline is CCN(c1cccc(F)c1C(C)N)C1CC1.
What is the InChIKey of 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline?
The InChIKey is DUUOUFNAWHESRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-16(10-7-8-10)12-6-4-5-11(14)13(12)9(2)15/h4-6,9-10H,3,7-8,15H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline?
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline has a molecular weight of 222.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 43264288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).