1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine

C15H15BrN2O — CID 126675205

IUPAC1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine
SMILESC=C(NC)c1cc(Br)cnc1OCc1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-11(17-2)14-8-13(16)9-18-15(14)19-10-12-6-4-3-5-7-12/h3-9,17H,1,10H2,2H3
InChIKeyKHYUAMQMOCJOHT-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.61
Rot. Bonds5

About 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine

1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine (PubChem CID 126675205) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine.

Molecular Properties

Compound Name1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine
PubChem CID126675205
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine
SMILESC=C(NC)c1cc(Br)cnc1OCc1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-11(17-2)14-8-13(16)9-18-15(14)19-10-12-6-4-3-5-7-12/h3-9,17H,1,10H2,2H3
InChIKeyKHYUAMQMOCJOHT-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289903
5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566029
5-N-cyclopropyl-3-N-methyl-2-phenylmethoxypyridine-3,5-dicarboxamide
CID 126648449
5-N-cyclobutyl-3-N-methyl-2-phenylmethoxypyridine-3,5-dicarboxamide
CID 126648561
3-bromo-5-phenylmethoxypyridine
CID 15389198
5-bromo-3-nitro-2-(2-phenylmethoxyphenoxy)pyridine
CID 166176140
5-bromo-2-(3-methylbut-3-enoxy)pyridine-3-carboxylic acid
CID 114469984
7-bromo-1-phenylmethoxyisoquinoline
CID 86710700
methyl 2-phenylmethoxy-5-(2H-triazol-4-yl)pyridine-3-carboxylate
CID 118167810
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125681
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 61227713

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine?
The IUPAC name of 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine (CID 126675205) is 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine.
What is the SMILES notation for 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine?
The canonical SMILES for 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine is C=C(NC)c1cc(Br)cnc1OCc1ccccc1.
What is the InChIKey of 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine?
The InChIKey is KHYUAMQMOCJOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11(17-2)14-8-13(16)9-18-15(14)19-10-12-6-4-3-5-7-12/h3-9,17H,1,10H2,2H3.
What are the key properties of 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine?
1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine has a molecular weight of 319.20 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine is sourced from PubChem (CID 126675205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).