2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline

C14H23FN2 — CID 63369402

IUPAC2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1cccc(F)c1[C@@H](C)N
InChIInChI=1S/C14H23FN2/c1-5-11(6-2)17(4)13-9-7-8-12(15)14(13)10(3)16/h7-11H,5-6,16H2,1-4H3/t10-/m1/s1
InChIKeyRKISSVKTKUUNCX-SNVBAGLBSA-N
MW238.35 g/mol
LogP3.47
Rot. Bonds5

About 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline

2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline (PubChem CID 63369402) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
PubChem CID63369402
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline
SMILESCCC(CC)N(C)c1cccc(F)c1[C@@H](C)N
InChIInChI=1S/C14H23FN2/c1-5-11(6-2)17(4)13-9-7-8-12(15)14(13)10(3)16/h7-11H,5-6,16H2,1-4H3/t10-/m1/s1
InChIKeyRKISSVKTKUUNCX-SNVBAGLBSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-aminoethyl]-3-fluoro-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 55188889
2-(1-aminoethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 62978144
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
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2-[2-[(1S)-1-aminoethyl]-N-butyl-3-fluoroanilino]ethanol
CID 78934634
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
2-(1-aminoethyl)-3-fluoro-N,N-bis(prop-2-enyl)aniline
CID 43188702
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 55189238
2-(1-aminoethyl)-3-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 43105495
1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 60788942
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 55189954

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline (CID 63369402) is 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline is CCC(CC)N(C)c1cccc(F)c1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline?
The InChIKey is RKISSVKTKUUNCX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-11(6-2)17(4)13-9-7-8-12(15)14(13)10(3)16/h7-11H,5-6,16H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline?
2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline has a molecular weight of 238.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-3-fluoro-N-methyl-N-pentan-3-ylaniline is sourced from PubChem (CID 63369402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).