(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine

C16H17Br2NO2 — CID 107950473

IUPAC(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C16H17Br2NO2/c1-9-6-14(20-2)15(21-3)8-12(9)16(19)11-5-4-10(17)7-13(11)18/h4-8,16H,19H2,1-3H3
InChIKeyFNWHAQHHYWHUJQ-UHFFFAOYSA-N
MW415.13 g/mol
LogP4.59
Rot. Bonds4

About (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine

(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine (PubChem CID 107950473) has the molecular formula C16H17Br2NO2 and a molecular weight of 415.13 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
PubChem CID107950473
Molecular FormulaC16H17Br2NO2
Molecular Weight415.13 g/mol
Exact Mass412.96
IUPAC Name(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C16H17Br2NO2/c1-9-6-14(20-2)15(21-3)8-12(9)16(19)11-5-4-10(17)7-13(11)18/h4-8,16H,19H2,1-3H3
InChIKeyFNWHAQHHYWHUJQ-UHFFFAOYSA-N
XLogP4.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.13
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65308241
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950937
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443430
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(4-chloro-2-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626661
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
The IUPAC name of (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine (CID 107950473) is (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine.
What is the SMILES notation for (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
The canonical SMILES for (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine is COc1cc(C)c(C(N)c2ccc(Br)cc2Br)cc1OC.
What is the InChIKey of (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
The InChIKey is FNWHAQHHYWHUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2NO2/c1-9-6-14(20-2)15(21-3)8-12(9)16(19)11-5-4-10(17)7-13(11)18/h4-8,16H,19H2,1-3H3.
What are the key properties of (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine?
(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine has a molecular weight of 415.13 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 107950473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).