1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine

C14H15BrN2O — CID 105075460

IUPAC1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1Oc1ccc(C)cc1Br
InChIInChI=1S/C14H15BrN2O/c1-10-3-4-13(12(15)7-10)18-14-9-17-6-5-11(14)8-16-2/h3-7,9,16H,8H2,1-2H3
InChIKeyDRQQXAXBCWPMGO-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.66
Rot. Bonds4

About 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine

1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105075460) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID105075460
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccncc1Oc1ccc(C)cc1Br
InChIInChI=1S/C14H15BrN2O/c1-10-3-4-13(12(15)7-10)18-14-9-17-6-5-11(14)8-16-2/h3-7,9,16H,8H2,1-2H3
InChIKeyDRQQXAXBCWPMGO-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075462
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075967
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075212
2-(2-bromo-4-methylphenoxy)pyrazine
CID 28602476
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
N-[[3-(4-bromo-2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075633
1-[6-(2-bromo-4-methylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 62322384
N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 105075970
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
CID 105074848
1-[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 102747358

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine (CID 105075460) is 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1ccncc1Oc1ccc(C)cc1Br.
What is the InChIKey of 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is DRQQXAXBCWPMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-3-4-13(12(15)7-10)18-14-9-17-6-5-11(14)8-16-2/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105075460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).