(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine

C18H22FN — CID 115852087

IUPAC(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H22FN/c1-12-9-10-13(19)11-15(12)17(20)14-7-5-6-8-16(14)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeyVUFGXGJQECUEAL-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.48
Rot. Bonds2

About (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine

(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 115852087) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID115852087
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H22FN/c1-12-9-10-13(19)11-15(12)17(20)14-7-5-6-8-16(14)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeyVUFGXGJQECUEAL-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852086
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115852060
(2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130189
(3-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 64712292
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397590
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine (CID 115852087) is (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)c1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is VUFGXGJQECUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12-9-10-13(19)11-15(12)17(20)14-7-5-6-8-16(14)18(2,3)4/h5-11,17H,20H2,1-4H3.
What are the key properties of (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 271.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 115852087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).