N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine

C16H19BrN2O — CID 106908616

IUPACN-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C16H19BrN2O/c1-3-18-10-13-5-4-6-14(19-13)11-20-15-7-8-16(17)12(2)9-15/h4-9,18H,3,10-11H2,1-2H3
InChIKeySRPBZOLCVPEMSQ-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.84
Rot. Bonds6

About N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine

N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 106908616) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
PubChem CID106908616
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(COc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C16H19BrN2O/c1-3-18-10-13-5-4-6-14(19-13)11-20-15-7-8-16(17)12(2)9-15/h4-9,18H,3,10-11H2,1-2H3
InChIKeySRPBZOLCVPEMSQ-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-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908554
[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 83140991
N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 83134272
N-[[6-[(2-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 107661247
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
4-[(4-bromo-3-methylphenoxy)methyl]pyrimidin-2-amine
CID 112751405
N-[[6-[(3,4-dichlorophenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908243
2-methyl-4-[(6-methyl-2-pyridinyl)methoxy]aniline
CID 79267749
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205
N-[[3-[(4-bromo-3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 83138173
2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 83133204
N-[[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83135292

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine (CID 106908616) is N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(COc2ccc(Br)c(C)c2)n1.
What is the InChIKey of N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is SRPBZOLCVPEMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-18-10-13-5-4-6-14(19-13)11-20-15-7-8-16(17)12(2)9-15/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine?
N-[[6-[(4-bromo-3-methylphenoxy)methyl]-2-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-bromo-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106908616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).