2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline

C14H23FN2 — CID 63368290

IUPAC2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline
SMILESCCCCCN(C)c1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C14H23FN2/c1-4-5-6-9-17(3)14-8-7-12(15)10-13(14)11(2)16/h7-8,10-11H,4-6,9,16H2,1-3H3/t11-/m1/s1
InChIKeyOWAWEDJWHDHZJQ-LLVKDONJSA-N
MW238.35 g/mol
LogP3.47
Rot. Bonds6

About 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline

2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline (PubChem CID 63368290) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline
PubChem CID63368290
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline
SMILESCCCCCN(C)c1ccc(F)cc1[C@@H](C)N
InChIInChI=1S/C14H23FN2/c1-4-5-6-9-17(3)14-8-7-12(15)10-13(14)11(2)16/h7-8,10-11H,4-6,9,16H2,1-3H3/t11-/m1/s1
InChIKeyOWAWEDJWHDHZJQ-LLVKDONJSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1-aminoethyl]-N,N-dibutyl-4-fluoroaniline
CID 28983277
2-(1-aminoethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112660506
2-(1-aminoethyl)-4-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 61412975
2-(1-aminoethyl)-4-fluoro-N,N-dimethylaniline
CID 43188896
N'-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63368901
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036392
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 29036390
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
2-[(1S)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870073
2-[(1R)-1-aminoethyl]-4-fluoro-N,N-bis(3-methylbutyl)aniline
CID 107870060
2-(1-aminoethyl)-3-fluoro-N-methyl-N-pentylaniline
CID 43295036

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline?
The IUPAC name of 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline (CID 63368290) is 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline.
What is the SMILES notation for 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline?
The canonical SMILES for 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline is CCCCCN(C)c1ccc(F)cc1[C@@H](C)N.
What is the InChIKey of 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline?
The InChIKey is OWAWEDJWHDHZJQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-5-6-9-17(3)14-8-7-12(15)10-13(14)11(2)16/h7-8,10-11H,4-6,9,16H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline?
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline has a molecular weight of 238.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-pentylaniline is sourced from PubChem (CID 63368290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).