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

C19H24FN — CID 114828604

IUPAC2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H24FN/c1-14(13-15-9-5-7-11-17(15)20)21-18-12-8-6-10-16(18)19(2,3)4/h5-12,14,21H,13H2,1-4H3
InChIKeyHTQLAWHJOMQHMA-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.17
Rot. Bonds4

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

2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline (PubChem CID 114828604) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
PubChem CID114828604
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H24FN/c1-14(13-15-9-5-7-11-17(15)20)21-18-12-8-6-10-16(18)19(2,3)4/h5-12,14,21H,13H2,1-4H3
InChIKeyHTQLAWHJOMQHMA-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

N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114828563
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 107787388
N-[1-(2-fluorophenyl)propan-2-yl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 114828808
N-[1-(2-fluorophenyl)propan-2-yl]-2,4,4-trimethylpentan-2-amine
CID 114828923
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114829477
4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828280
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 114830797
2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828434

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline (CID 114828604) is 2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline is CC(Cc1ccccc1F)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The InChIKey is HTQLAWHJOMQHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-14(13-15-9-5-7-11-17(15)20)21-18-12-8-6-10-16(18)19(2,3)4/h5-12,14,21H,13H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
2-tert-butyl-N-[1-(2-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 2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114828604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).