N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine

C16H19BrN2O — CID 82832289

IUPACN-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Br)cc2)nc1C
InChIInChI=1S/C16H19BrN2O/c1-3-18-10-14-6-9-16(19-12(14)2)20-11-13-4-7-15(17)8-5-13/h4-9,18H,3,10-11H2,1-2H3
InChIKeyMCTGLNQPSTZJNL-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.84
Rot. Bonds6

About N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine

N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 82832289) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID82832289
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Br)cc2)nc1C
InChIInChI=1S/C16H19BrN2O/c1-3-18-10-14-6-9-16(19-12(14)2)20-11-13-4-7-15(17)8-5-13/h4-9,18H,3,10-11H2,1-2H3
InChIKeyMCTGLNQPSTZJNL-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82832365
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
[6-[(3-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methanol
CID 82832022
2-(2-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102546176
N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 65125443
1-[6-[(2-bromophenyl)methoxy]-2-methyl-3-pyridinyl]-N-methylmethanamine
CID 82832072
(2-methyl-6-phenylmethoxy-3-pyridinyl)methanamine
CID 79885210
N-[[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882222
N-[[3-bromo-4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 102773976
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine
CID 82831791
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine (CID 82832289) is N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(OCc2ccc(Br)cc2)nc1C.
What is the InChIKey of N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is MCTGLNQPSTZJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-18-10-14-6-9-16(19-12(14)2)20-11-13-4-7-15(17)8-5-13/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine?
N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 335.25 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 82832289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).