(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine

C19H24FN — CID 106877511

IUPAC(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cc(F)cc(C)c1C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24FN/c1-12-10-16(20)11-13(2)17(12)18(21)14-6-8-15(9-7-14)19(3,4)5/h6-11,18H,21H2,1-5H3
InChIKeyQBYYNVNKSAIMRF-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.79
Rot. Bonds2

About (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine

(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine (PubChem CID 106877511) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
PubChem CID106877511
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC Name(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
SMILESCc1cc(F)cc(C)c1C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24FN/c1-12-10-16(20)11-13(2)17(12)18(21)14-6-8-15(9-7-14)19(3,4)5/h6-11,18H,21H2,1-5H3
InChIKeyQBYYNVNKSAIMRF-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 106877167
[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43100339
(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477384
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 106877521
(4-tert-butylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503111
(3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877482
2-[chloro-[4-(trifluoromethyl)phenyl]methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879788
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877289
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
2,4-bis[bis(4-tert-butylphenyl)methyl]-1,3,5-trimethylbenzene
CID 138962496
2-[(4-tert-butylphenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63430007

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The IUPAC name of (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine (CID 106877511) is (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The canonical SMILES for (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine is Cc1cc(F)cc(C)c1C(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
The InChIKey is QBYYNVNKSAIMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-12-10-16(20)11-13(2)17(12)18(21)14-6-8-15(9-7-14)19(3,4)5/h6-11,18H,21H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine?
(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine has a molecular weight of 285.41 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106877511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).