(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine

C18H22BrN — CID 81110803

IUPAC(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
SMILESCc1ccc(Br)c(C(N)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22BrN/c1-12-5-10-16(19)15(11-12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeyGKNMKYVRUUYMKG-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.10
Rot. Bonds2

About (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine

(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine (PubChem CID 81110803) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
PubChem CID81110803
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
SMILESCc1ccc(Br)c(C(N)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C18H22BrN/c1-12-5-10-16(19)15(11-12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeyGKNMKYVRUUYMKG-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013705
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43104550
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 65279555
(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 106648227

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine (CID 81110803) is (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine is Cc1ccc(Br)c(C(N)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine?
The InChIKey is GKNMKYVRUUYMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-12-5-10-16(19)15(11-12)17(20)13-6-8-14(9-7-13)18(2,3)4/h5-11,17H,20H2,1-4H3.
What are the key properties of (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine?
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine has a molecular weight of 332.29 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine is sourced from PubChem (CID 81110803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).