2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine

C15H17BrN2O2 — CID 62989177

IUPAC2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
SMILESCOc1cc(CNCCOc2cccc(Br)c2)ccn1
InChIInChI=1S/C15H17BrN2O2/c1-19-15-9-12(5-6-18-15)11-17-7-8-20-14-4-2-3-13(16)10-14/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyRVAKEFVZIVHIAY-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.02
Rot. Bonds7

About 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine

2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine (PubChem CID 62989177) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
PubChem CID62989177
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
SMILESCOc1cc(CNCCOc2cccc(Br)c2)ccn1
InChIInChI=1S/C15H17BrN2O2/c1-19-15-9-12(5-6-18-15)11-17-7-8-20-14-4-2-3-13(16)10-14/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyRVAKEFVZIVHIAY-UHFFFAOYSA-N
XLogP3.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 60957658
N-[2-(3-bromophenoxy)ethyl]-4-methoxypyrimidin-2-amine
CID 133270166
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60688504
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60690670
1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 86995214
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
N-benzyl-4-(3-bromophenoxy)butan-1-amine
CID 2183434
3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62992022
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61069035
2-(3-bromophenoxy)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 62119001

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine (CID 62989177) is 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine is COc1cc(CNCCOc2cccc(Br)c2)ccn1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine?
The InChIKey is RVAKEFVZIVHIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-15-9-12(5-6-18-15)11-17-7-8-20-14-4-2-3-13(16)10-14/h2-6,9-10,17H,7-8,11H2,1H3.
What are the key properties of 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine?
2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine has a molecular weight of 337.22 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62989177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).