4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline

C19H24FN — CID 114827952

IUPAC4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24FN/c1-14(12-15-6-5-7-17(20)13-15)21-18-10-8-16(9-11-18)19(2,3)4/h5-11,13-14,21H,12H2,1-4H3
InChIKeyAIKVUBFCVPIFIC-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.17
Rot. Bonds4

About 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline

4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline (PubChem CID 114827952) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
PubChem CID114827952
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24FN/c1-14(12-15-6-5-7-17(20)13-15)21-18-10-8-16(9-11-18)19(2,3)4/h5-11,13-14,21H,12H2,1-4H3
InChIKeyAIKVUBFCVPIFIC-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(3-fluorophenyl)propan-2-ylamino]benzoic acid
CID 114828452
4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114829992
2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 115917629
N-[1-(3-fluorophenyl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 115916645
1-[2-bromo-2-(4-tert-butylphenyl)ethyl]-3-fluorobenzene
CID 63439710
3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114828733
2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
CID 114830495
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727
2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 107598358
2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114830635
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline (CID 114827952) is 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline is CC(Cc1cccc(F)c1)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The InChIKey is AIKVUBFCVPIFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-14(12-15-6-5-7-17(20)13-15)21-18-10-8-16(9-11-18)19(2,3)4/h5-11,13-14,21H,12H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline has a molecular weight of 285.41 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114827952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).