(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine

C14H15BrN2O — CID 114054024

IUPAC(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine
SMILESCOc1cccnc1C(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-9-5-6-10(8-11(9)15)13(16)14-12(18-2)4-3-7-17-14/h3-8,13H,16H2,1-2H3
InChIKeyKHTUAIYAXCIUKM-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.21
Rot. Bonds3

About (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine

(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine (PubChem CID 114054024) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine
PubChem CID114054024
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine
SMILESCOc1cccnc1C(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-9-5-6-10(8-11(9)15)13(16)14-12(18-2)4-3-7-17-14/h3-8,13H,16H2,1-2H3
InChIKeyKHTUAIYAXCIUKM-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803
(2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054595
(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 105031995
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
(3-bromo-4-fluorophenyl)-(3-methoxy-2-pyridinyl)methanol
CID 114053617
(1,5-dimethylpyrazol-3-yl)-(3-methoxy-2-pyridinyl)methanamine
CID 114220495
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
[(3-bromo-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332597
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(3-bromo-4-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 81472440
(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine (CID 114054024) is (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine is COc1cccnc1C(N)c1ccc(C)c(Br)c1.
What is the InChIKey of (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine?
The InChIKey is KHTUAIYAXCIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-5-6-10(8-11(9)15)13(16)14-12(18-2)4-3-7-17-14/h3-8,13H,16H2,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine?
(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine has a molecular weight of 307.19 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 114054024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).