3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline

C19H24FN — CID 43764409

IUPAC3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCc1ccc(NC(C)CC(C)(C)c2ccccc2)cc1F
InChIInChI=1S/C19H24FN/c1-14-10-11-17(12-18(14)20)21-15(2)13-19(3,4)16-8-6-5-7-9-16/h5-12,15,21H,13H2,1-4H3
InChIKeyOTCUCXHZYLWPOB-UHFFFAOYSA-N
MW285.41 g/mol
LogP5.30
Rot. Bonds5

About 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline

3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline (PubChem CID 43764409) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
PubChem CID43764409
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline
SMILESCc1ccc(NC(C)CC(C)(C)c2ccccc2)cc1F
InChIInChI=1S/C19H24FN/c1-14-10-11-17(12-18(14)20)21-15(2)13-19(3,4)16-8-6-5-7-9-16/h5-12,15,21H,13H2,1-4H3
InChIKeyOTCUCXHZYLWPOB-UHFFFAOYSA-N
XLogP5.30
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 ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The IUPAC name of 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline (CID 43764409) is 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline is Cc1ccc(NC(C)CC(C)(C)c2ccccc2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
The InChIKey is OTCUCXHZYLWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-14-10-11-17(12-18(14)20)21-15(2)13-19(3,4)16-8-6-5-7-9-16/h5-12,15,21H,13H2,1-4H3.
What are the key properties of 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline?
3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline has a molecular weight of 285.41 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(4-methyl-4-phenylpentan-2-yl)aniline is sourced from PubChem (CID 43764409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).