N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline

C19H24FN — CID 63476341

IUPACN-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NC(C)c2ccc(C(C)(C)C)cc2)ccc1F
InChIInChI=1S/C19H24FN/c1-13-12-17(10-11-18(13)20)21-14(2)15-6-8-16(9-7-15)19(3,4)5/h6-12,14,21H,1-5H3
InChIKeyZOZLHYSXBODWMD-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.60
Rot. Bonds3

About N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline

N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline (PubChem CID 63476341) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline
PubChem CID63476341
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NC(C)c2ccc(C(C)(C)C)cc2)ccc1F
InChIInChI=1S/C19H24FN/c1-13-12-17(10-11-18(13)20)21-14(2)15-6-8-16(9-7-15)19(3,4)5/h6-12,14,21H,1-5H3
InChIKeyZOZLHYSXBODWMD-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.41
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3,5-difluoroaniline
CID 43100376
4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline
CID 62810884
3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070
N-[1-(4-tert-butylphenyl)ethyl]-2,5-difluoroaniline
CID 43106797
3,4-difluoro-N-[1-(4-iodophenyl)ethyl]aniline
CID 43761590
N-[1-(4-tert-butylphenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43716632
N-[1-(4-tert-butylphenyl)ethyl]-3-methylsulfanylaniline
CID 43107208
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
3-bromo-N-[1-(4-tert-butylphenyl)ethyl]-5-methylaniline
CID 107582349
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 63455967
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline (CID 63476341) is N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline is Cc1cc(NC(C)c2ccc(C(C)(C)C)cc2)ccc1F.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline?
The InChIKey is ZOZLHYSXBODWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-13-12-17(10-11-18(13)20)21-14(2)15-6-8-16(9-7-15)19(3,4)5/h6-12,14,21H,1-5H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline?
N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline has a molecular weight of 285.41 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 63476341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).