N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

C15H17BrN2O — CID 834314

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCOc1ccc(Br)cc1CNCc1cccnc1
InChIInChI=1S/C15H17BrN2O/c1-2-19-15-6-5-14(16)8-13(15)11-18-10-12-4-3-7-17-9-12/h3-9,18H,2,10-11H2,1H3
InChIKeySRZTYCDEYVPWHU-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.53
Rot. Bonds6

About N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine

N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 834314) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID834314
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
SMILESCCOc1ccc(Br)cc1CNCc1cccnc1
InChIInChI=1S/C15H17BrN2O/c1-2-19-15-6-5-14(16)8-13(15)11-18-10-12-4-3-7-17-9-12/h3-9,18H,2,10-11H2,1H3
InChIKeySRZTYCDEYVPWHU-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine (CID 834314) is N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is CCOc1ccc(Br)cc1CNCc1cccnc1.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is SRZTYCDEYVPWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-19-15-6-5-14(16)8-13(15)11-18-10-12-4-3-7-17-9-12/h3-9,18H,2,10-11H2,1H3.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine?
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 834314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).