N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine

C15H16BrClN2O — CID 65125248

IUPACN-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H16BrClN2O/c1-2-18-8-12-7-13(16)9-19-15(12)20-10-11-3-5-14(17)6-4-11/h3-7,9,18H,2,8,10H2,1H3
InChIKeyCEMWROBRYNMFME-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.19
Rot. Bonds6

About N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine

N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 65125248) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
PubChem CID65125248
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC NameN-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H16BrClN2O/c1-2-18-8-12-7-13(16)9-19-15(12)20-10-11-3-5-14(17)6-4-11/h3-7,9,18H,2,8,10H2,1H3
InChIKeyCEMWROBRYNMFME-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125681
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389
N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 63878321
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391563
N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 107742064
N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82832365
N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289903
N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125152
N-[[5-bromo-2-(2,3-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296755
N-[[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 65125438

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (CID 65125248) is N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is CCNCc1cc(Br)cnc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is CEMWROBRYNMFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-2-18-8-12-7-13(16)9-19-15(12)20-10-11-3-5-14(17)6-4-11/h3-7,9,18H,2,8,10H2,1H3.
What are the key properties of N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine has a molecular weight of 355.66 g/mol, XLogP of 4.19, 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-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 65125248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).