4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline

C19H24FN — CID 114871220

IUPAC4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
SMILESCCC(C)c1ccc(NC(CC)c2cccc(F)c2)cc1
InChIInChI=1S/C19H24FN/c1-4-14(3)15-9-11-18(12-10-15)21-19(5-2)16-7-6-8-17(20)13-16/h6-14,19,21H,4-5H2,1-3H3
InChIKeyFARBZOUUBFYGFP-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.90
Rot. Bonds6

About 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline

4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline (PubChem CID 114871220) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
PubChem CID114871220
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
SMILESCCC(C)c1ccc(NC(CC)c2cccc(F)c2)cc1
InChIInChI=1S/C19H24FN/c1-4-14(3)15-9-11-18(12-10-15)21-19(5-2)16-7-6-8-17(20)13-16/h6-14,19,21H,4-5H2,1-3H3
InChIKeyFARBZOUUBFYGFP-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.41
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
CID 114871894
4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871801
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
CID 114871265
N-[1-(3-bromophenyl)propyl]-4-propan-2-ylaniline
CID 43760579
N-[1-(3-fluorophenyl)propyl]-4-methyl-3-nitroaniline
CID 114871280
4-butan-2-yl-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43681088
4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline
CID 114871694
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114986430

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline?
The IUPAC name of 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline (CID 114871220) is 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline.
What is the SMILES notation for 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline?
The canonical SMILES for 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline is CCC(C)c1ccc(NC(CC)c2cccc(F)c2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline?
The InChIKey is FARBZOUUBFYGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-4-14(3)15-9-11-18(12-10-15)21-19(5-2)16-7-6-8-17(20)13-16/h6-14,19,21H,4-5H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline?
4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline has a molecular weight of 285.41 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline is sourced from PubChem (CID 114871220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).