2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline

C15H23FN2 — CID 63368344

IUPAC2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
SMILESCCN(c1ccc(F)cc1[C@@H](C)N)C1CCCC1
InChIInChI=1S/C15H23FN2/c1-3-18(13-6-4-5-7-13)15-9-8-12(16)10-14(15)11(2)17/h8-11,13H,3-7,17H2,1-2H3/t11-/m1/s1
InChIKeyDLAHFSNHXCJKEQ-LLVKDONJSA-N
MW250.36 g/mol
LogP3.61
Rot. Bonds4

About 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline

2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline (PubChem CID 63368344) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
PubChem CID63368344
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
SMILESCCN(c1ccc(F)cc1[C@@H](C)N)C1CCCC1
InChIInChI=1S/C15H23FN2/c1-3-18(13-6-4-5-7-13)15-9-8-12(16)10-14(15)11(2)17/h8-11,13H,3-7,17H2,1-2H3/t11-/m1/s1
InChIKeyDLAHFSNHXCJKEQ-LLVKDONJSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
CID 78944318
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55189609
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
1-N-cyclohexyl-1-N-ethyl-2-fluorobenzene-1,4-diamine
CID 28972591
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789
(E)-3-[2-[cyclohexyl(ethyl)amino]-5-fluorophenyl]prop-2-enoic acid
CID 43313075

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline (CID 63368344) is 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline is CCN(c1ccc(F)cc1[C@@H](C)N)C1CCCC1.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline?
The InChIKey is DLAHFSNHXCJKEQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-18(13-6-4-5-7-13)15-9-8-12(16)10-14(15)11(2)17/h8-11,13H,3-7,17H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline?
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 63368344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).