(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine

C16H18BrN — CID 105018919

IUPAC(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2cc(C)ccc2Br)c1
InChIInChI=1S/C16H18BrN/c1-3-12-5-4-6-13(10-12)16(18)14-9-11(2)7-8-15(14)17/h4-10,16H,3,18H2,1-2H3
InChIKeyMPGBZHGNXLWUGJ-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.37
Rot. Bonds3

About (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine

(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine (PubChem CID 105018919) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
PubChem CID105018919
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2cc(C)ccc2Br)c1
InChIInChI=1S/C16H18BrN/c1-3-12-5-4-6-13(10-12)16(18)14-9-11(2)7-8-15(14)17/h4-10,16H,3,18H2,1-2H3
InChIKeyMPGBZHGNXLWUGJ-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine
CID 105018566
(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
(2,4-dibromophenyl)-(3-ethylphenyl)methanamine
CID 107946458
(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine
CID 81110402
(2-bromo-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115850757
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
CID 105187905
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine (CID 105018919) is (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine is CCc1cccc(C(N)c2cc(C)ccc2Br)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine?
The InChIKey is MPGBZHGNXLWUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-3-12-5-4-6-13(10-12)16(18)14-9-11(2)7-8-15(14)17/h4-10,16H,3,18H2,1-2H3.
What are the key properties of (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine?
(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine has a molecular weight of 304.23 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine is sourced from PubChem (CID 105018919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).