2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline

C18H22FN — CID 43682980

IUPAC2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-13(14-8-7-9-15(19)12-14)20-17-11-6-5-10-16(17)18(2,3)4/h5-13,20H,1-4H3
InChIKeyVCSNVHQMJGDKDS-UHFFFAOYSA-N
MW271.38 g/mol
LogP5.30
Rot. Bonds3

About 2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline

2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline (PubChem CID 43682980) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
PubChem CID43682980
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H22FN/c1-13(14-8-7-9-15(19)12-14)20-17-11-6-5-10-16(17)18(2,3)4/h5-13,20H,1-4H3
InChIKeyVCSNVHQMJGDKDS-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-N-(1-phenylethyl)aniline
CID 43226869
2-[1-(2-tert-butylanilino)ethyl]-5-fluorophenol
CID 63064456
N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline
CID 114256809
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
2-tert-butyl-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780792
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43750446
N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479729
2-bromo-6-[1-(3-fluorophenyl)ethylamino]benzoic acid
CID 114887985
2,6-dibromo-N-[1-(3-fluorophenyl)ethyl]-4-methylaniline
CID 43126159
N-[1-(3-fluorophenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374230
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline?
The IUPAC name of 2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline (CID 43682980) is 2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline is CC(Nc1ccccc1C(C)(C)C)c1cccc(F)c1.
What is the InChIKey of 2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline?
The InChIKey is VCSNVHQMJGDKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13(14-8-7-9-15(19)12-14)20-17-11-6-5-10-16(17)18(2,3)4/h5-13,20H,1-4H3.
What are the key properties of 2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline?
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline has a molecular weight of 271.38 g/mol, XLogP of 5.30, 3 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-(3-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 43682980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).