[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine

C14H15BrN2O2 — CID 43622274

IUPAC[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1ccncc1
InChIInChI=1S/C14H15BrN2O2/c1-18-13-7-11(8-16)6-12(15)14(13)19-9-10-2-4-17-5-3-10/h2-7H,8-9,16H2,1H3
InChIKeyZKOSHKNUJBTGNY-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.89
Rot. Bonds5

About [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine

[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine (PubChem CID 43622274) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
PubChem CID43622274
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(Br)c1OCc1ccncc1
InChIInChI=1S/C14H15BrN2O2/c1-18-13-7-11(8-16)6-12(15)14(13)19-9-10-2-4-17-5-3-10/h2-7H,8-9,16H2,1H3
InChIKeyZKOSHKNUJBTGNY-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

Analyze [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine with MolForge

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Related Compounds

(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
4-[[2-bromo-4-(bromomethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43627281
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17292612
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
[3-bromo-5-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 60889266
[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60888896
[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60887919
3-[[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]methyl]benzonitrile
CID 60889843
3-[[2-bromo-4-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 43622762
[3-bromo-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60888899
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
[3-bromo-5-methoxy-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 107041278

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine (CID 43622274) is [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine is COc1cc(CN)cc(Br)c1OCc1ccncc1.
What is the InChIKey of [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine?
The InChIKey is ZKOSHKNUJBTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-18-13-7-11(8-16)6-12(15)14(13)19-9-10-2-4-17-5-3-10/h2-7H,8-9,16H2,1H3.
What are the key properties of [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine?
[3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]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 [3-bromo-5-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 43622274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).