4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline

C19H24FN — CID 142307020

IUPAC4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline
SMILESCNc1ccc(Cc2ccccc2F)cc1C(C)C(C)C
InChIInChI=1S/C19H24FN/c1-13(2)14(3)17-12-15(9-10-19(17)21-4)11-16-7-5-6-8-18(16)20/h5-10,12-14,21H,11H2,1-4H3
InChIKeyLXTWPGIILFTMQB-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.22
Rot. Bonds5

About 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline

4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline (PubChem CID 142307020) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline
PubChem CID142307020
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline
SMILESCNc1ccc(Cc2ccccc2F)cc1C(C)C(C)C
InChIInChI=1S/C19H24FN/c1-13(2)14(3)17-12-15(9-10-19(17)21-4)11-16-7-5-6-8-18(16)20/h5-10,12-14,21H,11H2,1-4H3
InChIKeyLXTWPGIILFTMQB-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene
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4-[(2-fluorophenyl)methyl]-2-methylaniline
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1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium
CID 71463436
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
4-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-2-nitroaniline
CID 62188741
2-(2-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 55026735
4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline
CID 129135425
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CID 103302394

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline (CID 142307020) is 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline is CNc1ccc(Cc2ccccc2F)cc1C(C)C(C)C.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline?
The InChIKey is LXTWPGIILFTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-13(2)14(3)17-12-15(9-10-19(17)21-4)11-16-7-5-6-8-18(16)20/h5-10,12-14,21H,11H2,1-4H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline?
4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline has a molecular weight of 285.41 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 142307020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).