(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine

C16H18BrNO2 — CID 105013705

IUPAC(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2cc(C)ccc2Br)c1
InChIInChI=1S/C16H18BrNO2/c1-10-4-5-15(17)14(6-10)16(18)11-7-12(19-2)9-13(8-11)20-3/h4-9,16H,18H2,1-3H3
InChIKeyRTUAUYKOXYFIOZ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.82
Rot. Bonds4

About (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine

(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine (PubChem CID 105013705) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
PubChem CID105013705
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(OC)cc(C(N)c2cc(C)ccc2Br)c1
InChIInChI=1S/C16H18BrNO2/c1-10-4-5-15(17)14(6-10)16(18)11-7-12(19-2)9-13(8-11)20-3/h4-9,16H,18H2,1-3H3
InChIKeyRTUAUYKOXYFIOZ-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 81109542
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(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)-(4-ethylphenyl)methanamine
CID 81109837
(5-bromo-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 43149051
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 115809289
1-[bromo-(3,5-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 63438910
1-(2-bromo-5-methylphenyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105025878
(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
CID 105018919

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine?
The IUPAC name of (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine (CID 105013705) is (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine is COc1cc(OC)cc(C(N)c2cc(C)ccc2Br)c1.
What is the InChIKey of (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine?
The InChIKey is RTUAUYKOXYFIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-10-4-5-15(17)14(6-10)16(18)11-7-12(19-2)9-13(8-11)20-3/h4-9,16H,18H2,1-3H3.
What are the key properties of (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine?
(2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine has a molecular weight of 336.23 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methylphenyl)-(3,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 105013705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).