(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine

C18H22BrN — CID 81110402

IUPAC(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine
SMILESCCc1ccc(CC)c(C(N)c2cc(C)ccc2Br)c1
InChIInChI=1S/C18H22BrN/c1-4-13-7-8-14(5-2)15(11-13)18(20)16-10-12(3)6-9-17(16)19/h6-11,18H,4-5,20H2,1-3H3
InChIKeyZYCRVJKSJHKTMB-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.93
Rot. Bonds4

About (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine

(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine (PubChem CID 81110402) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine
PubChem CID81110402
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine
SMILESCCc1ccc(CC)c(C(N)c2cc(C)ccc2Br)c1
InChIInChI=1S/C18H22BrN/c1-4-13-7-8-14(5-2)15(11-13)18(20)16-10-12(3)6-9-17(16)19/h6-11,18H,4-5,20H2,1-3H3
InChIKeyZYCRVJKSJHKTMB-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(4-ethylphenyl)methanamine
CID 81109837
(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
CID 105018919
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
2-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277659
(1S)-1-(2-ethyl-5-methylphenyl)butan-1-amine
CID 55296637
2-amino-2-(2-ethyl-5-methylphenyl)ethanol
CID 55283638
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095609
(1S)-1-(2-bromo-5-methylphenyl)-2-methylpropan-1-amine
CID 131010900
1-(2-bromo-5-methylphenyl)-2-ethylbutan-1-amine
CID 105014086
1-(2-bromo-5-methylphenyl)butan-1-amine
CID 83988260

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine (CID 81110402) is (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine is CCc1ccc(CC)c(C(N)c2cc(C)ccc2Br)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine?
The InChIKey is ZYCRVJKSJHKTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-4-13-7-8-14(5-2)15(11-13)18(20)16-10-12(3)6-9-17(16)19/h6-11,18H,4-5,20H2,1-3H3.
What are the key properties of (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine?
(2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine has a molecular weight of 332.29 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(2,5-diethylphenyl)methanamine is sourced from PubChem (CID 81110402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).