4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline

C18H23FN2 — CID 64585981

IUPAC4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline
SMILESCCCCN(c1ccccc1)c1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C18H23FN2/c1-3-4-12-21(16-8-6-5-7-9-16)18-11-10-15(14(2)20)13-17(18)19/h5-11,13-14H,3-4,12,20H2,1-2H3/t14-/m1/s1
InChIKeyXHNWYUBFHBYFDA-CQSZACIVSA-N
MW286.39 g/mol
LogP4.78
Rot. Bonds6

About 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline

4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline (PubChem CID 64585981) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline
PubChem CID64585981
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline
SMILESCCCCN(c1ccccc1)c1ccc([C@@H](C)N)cc1F
InChIInChI=1S/C18H23FN2/c1-3-4-12-21(16-8-6-5-7-9-16)18-11-10-15(14(2)20)13-17(18)19/h5-11,13-14H,3-4,12,20H2,1-2H3/t14-/m1/s1
InChIKeyXHNWYUBFHBYFDA-CQSZACIVSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2,4-difluoro-N-phenylaniline
CID 68652325
4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
CID 78996712
4-[(1S)-1-aminoethyl]-2-fluoro-N-pentyl-N-propan-2-ylaniline
CID 55188895
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(4-methylphenyl)aniline
CID 63368905
4-[(1S)-1-aminoethyl]-N-ethyl-2-fluoro-N-(3-methylphenyl)aniline
CID 78934620
4-[(1R)-1-aminoethyl]-N-butyl-N-cyclopropyl-2-fluoroaniline
CID 63368751
(1R)-1-[4-(N-ethylanilino)-3-fluorophenyl]ethanol
CID 63370665
4-[(1R)-1-aminoethyl]-2-bromo-N-ethyl-N-phenylaniline
CID 55191001
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-methylaniline
CID 63368247
4-(aminomethyl)-N-butyl-3-fluoro-N-phenylaniline
CID 115366899
4-(1-aminoethyl)-2-fluoro-N,N-dimethylaniline
CID 43188895
4-(1-aminoethyl)-N-ethyl-2-fluoro-N-propan-2-ylaniline
CID 43265907

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline (CID 64585981) is 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline is CCCCN(c1ccccc1)c1ccc([C@@H](C)N)cc1F.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline?
The InChIKey is XHNWYUBFHBYFDA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-4-12-21(16-8-6-5-7-9-16)18-11-10-15(14(2)20)13-17(18)19/h5-11,13-14H,3-4,12,20H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline?
4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline has a molecular weight of 286.39 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-butyl-2-fluoro-N-phenylaniline is sourced from PubChem (CID 64585981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).