N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine

C15H17BrN2O — CID 43487751

IUPACN-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-3-18-15(11-6-8-17-9-7-11)12-4-5-14(19-2)13(16)10-12/h4-10,15,18H,3H2,1-2H3
InChIKeyALZROBCEGUKRGC-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.55
Rot. Bonds5

About N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine

N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine (PubChem CID 43487751) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
PubChem CID43487751
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-3-18-15(11-6-8-17-9-7-11)12-4-5-14(19-2)13(16)10-12/h4-10,15,18H,3H2,1-2H3
InChIKeyALZROBCEGUKRGC-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446581
N-[(3-bromo-4-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]ethanamine
CID 79212535
N-[(3-bromo-4-methoxyphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 61314643
N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189
N-[(3-bromo-4-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 43487810
N-[(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487727
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-[(3-bromo-4-methoxyphenyl)-(4-bromophenyl)methyl]propan-1-amine
CID 43493875
1-(3-bromo-4-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984917
N-[(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methyl]ethanamine
CID 43487803
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine (CID 43487751) is N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine is CCNC(c1ccncc1)c1ccc(OC)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine?
The InChIKey is ALZROBCEGUKRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-18-15(11-6-8-17-9-7-11)12-4-5-14(19-2)13(16)10-12/h4-10,15,18H,3H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine?
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine is sourced from PubChem (CID 43487751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).