1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine

C14H15BrN2O — CID 113454072

IUPAC1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2cncc(Br)c2)c1
InChIInChI=1S/C14H15BrN2O/c1-16-7-11-3-2-4-14(6-11)18-10-12-5-13(15)9-17-8-12/h2-6,8-9,16H,7,10H2,1H3
InChIKeyUZUAVBXGJKTCHE-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.14
Rot. Bonds5

About 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine

1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 113454072) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID113454072
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2cncc(Br)c2)c1
InChIInChI=1S/C14H15BrN2O/c1-16-7-11-3-2-4-14(6-11)18-10-12-5-13(15)9-17-8-12/h2-6,8-9,16H,7,10H2,1H3
InChIKeyUZUAVBXGJKTCHE-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
1-[3-(furan-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486019
3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine
CID 113455706
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
1-[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880914
1-[3-[(5-bromo-3-pyridinyl)methoxy]-4-nitrophenyl]-N-methylmethanamine
CID 104796258
1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 106485972
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 79268111
1-[3-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 106262951

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine (CID 113454072) is 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCc2cncc(Br)c2)c1.
What is the InChIKey of 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is UZUAVBXGJKTCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-16-7-11-3-2-4-14(6-11)18-10-12-5-13(15)9-17-8-12/h2-6,8-9,16H,7,10H2,1H3.
What are the key properties of 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 113454072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).