(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine

C16H18BrNO — CID 106680488

IUPAC(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)c1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-10-8-11(2)15(14(9-10)19-3)16(18)12-6-4-5-7-13(12)17/h4-9,16H,18H2,1-3H3
InChIKeyXZJISMHREXGMES-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.12
Rot. Bonds3

About (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine

(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine (PubChem CID 106680488) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
PubChem CID106680488
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
SMILESCOc1cc(C)cc(C)c1C(N)c1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-10-8-11(2)15(14(9-10)19-3)16(18)12-6-4-5-7-13(12)17/h4-9,16H,18H2,1-3H3
InChIKeyXZJISMHREXGMES-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791356
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
CID 106680388
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594
(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
(2-methoxy-4,6-dimethylphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 106680561
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106682258
2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene
CID 63431891
[(2-methoxy-4,6-dimethylphenyl)-phenylmethyl]hydrazine
CID 106682684
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The IUPAC name of (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine (CID 106680488) is (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The canonical SMILES for (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine is COc1cc(C)cc(C)c1C(N)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
The InChIKey is XZJISMHREXGMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-10-8-11(2)15(14(9-10)19-3)16(18)12-6-4-5-7-13(12)17/h4-9,16H,18H2,1-3H3.
What are the key properties of (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine?
(2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine has a molecular weight of 320.23 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine is sourced from PubChem (CID 106680488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).