(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine

C14H14BrClN2O2 — CID 103523606

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine
SMILESCOc1ccc(C(N)c2ncccc2Cl)c(OC)c1Br
InChIInChI=1S/C14H14BrClN2O2/c1-19-10-6-5-8(14(20-2)11(10)15)12(17)13-9(16)4-3-7-18-13/h3-7,12H,17H2,1-2H3
InChIKeyVNPAVZABFSPARY-UHFFFAOYSA-N
MW357.64 g/mol
LogP3.56
Rot. Bonds4

About (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine

(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine (PubChem CID 103523606) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine
PubChem CID103523606
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine
SMILESCOc1ccc(C(N)c2ncccc2Cl)c(OC)c1Br
InChIInChI=1S/C14H14BrClN2O2/c1-19-10-6-5-8(14(20-2)11(10)15)12(17)13-9(16)4-3-7-18-13/h3-7,12H,17H2,1-2H3
InChIKeyVNPAVZABFSPARY-UHFFFAOYSA-N
XLogP3.56
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 103523504
(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 103523603
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 107950938
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
CID 106851976
(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 103444018
(3-chloro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 103443925
[(3-bromo-2,4-dimethoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 103524568
1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol
CID 103524557
[(3-chloro-2-pyridinyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 103445899
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine (CID 103523606) is (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine is COc1ccc(C(N)c2ncccc2Cl)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine?
The InChIKey is VNPAVZABFSPARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-19-10-6-5-8(14(20-2)11(10)15)12(17)13-9(16)4-3-7-18-13/h3-7,12H,17H2,1-2H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine?
(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine has a molecular weight of 357.64 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine is sourced from PubChem (CID 103523606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).