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

C20H19BrN2O — CID 1017997

IUPACN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine
SMILESBrc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1
InChIInChI=1S/C20H19BrN2O/c21-18-9-10-20(24-15-16-6-2-1-3-7-16)17(12-18)13-22-14-19-8-4-5-11-23-19/h1-12,22H,13-15H2
InChIKeyCKZWAKFMBLJCHI-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.71
Rot. Bonds7

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

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 1017997) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID1017997
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine
SMILESBrc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1
InChIInChI=1S/C20H19BrN2O/c21-18-9-10-20(24-15-16-6-2-1-3-7-16)17(12-18)13-22-14-19-8-4-5-11-23-19/h1-12,22H,13-15H2
InChIKeyCKZWAKFMBLJCHI-UHFFFAOYSA-N
XLogP4.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.71
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-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine (CID 1017997) is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine is Brc1ccc(OCc2ccccc2)c(CNCc2ccccn2)c1.
What is the InChIKey of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is CKZWAKFMBLJCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c21-18-9-10-20(24-15-16-6-2-1-3-7-16)17(12-18)13-22-14-19-8-4-5-11-23-19/h1-12,22H,13-15H2.
What are the key properties of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine?
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 383.29 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 1017997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).