[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine

C14H15BrN2O2 — CID 62291690

IUPAC[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
SMILESCOc1ccc(COc2ncc(Br)cc2CN)cc1
InChIInChI=1S/C14H15BrN2O2/c1-18-13-4-2-10(3-5-13)9-19-14-11(7-16)6-12(15)8-17-14/h2-6,8H,7,9,16H2,1H3
InChIKeyRQFCKRRIGHTCFD-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.89
Rot. Bonds5

About [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine

[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine (PubChem CID 62291690) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
PubChem CID62291690
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
SMILESCOc1ccc(COc2ncc(Br)cc2CN)cc1
InChIInChI=1S/C14H15BrN2O2/c1-18-13-4-2-10(3-5-13)9-19-14-11(7-16)6-12(15)8-17-14/h2-6,8H,7,9,16H2,1H3
InChIKeyRQFCKRRIGHTCFD-UHFFFAOYSA-N
XLogP2.89
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63937782
5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 61227713
5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine
CID 134183192
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066
[5-bromo-2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64721342
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
[5-bromo-2-(4-butan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 107668185
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
CID 67000104
N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289903
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
[6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]methanamine
CID 66449624

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine?
The IUPAC name of [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine (CID 62291690) is [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine is COc1ccc(COc2ncc(Br)cc2CN)cc1.
What is the InChIKey of [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine?
The InChIKey is RQFCKRRIGHTCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-18-13-4-2-10(3-5-13)9-19-14-11(7-16)6-12(15)8-17-14/h2-6,8H,7,9,16H2,1H3.
What are the key properties of [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine?
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine has a molecular weight of 323.19 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 62291690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).