N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine

C17H20BrNO — CID 63496855

IUPACN-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COc1ccc(Br)cc1C
InChIInChI=1S/C17H20BrNO/c1-3-19-11-14-6-4-5-7-15(14)12-20-17-9-8-16(18)10-13(17)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyVPOCYSUCRWDFRS-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.45
Rot. Bonds6

About N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine

N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine (PubChem CID 63496855) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine
PubChem CID63496855
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1COc1ccc(Br)cc1C
InChIInChI=1S/C17H20BrNO/c1-3-19-11-14-6-4-5-7-15(14)12-20-17-9-8-16(18)10-13(17)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyVPOCYSUCRWDFRS-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 114676831
2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465253
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825
N-[[2-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methyl]ethanamine
CID 107660992
N-[[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450280
N-[[2-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452521
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]ethanamine
CID 63552221
5-bromo-2-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 114380845
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
5-(4-bromo-2-methylphenoxy)-N-ethylpentan-1-amine
CID 55161142
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
2-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-ethylethanamine
CID 114676958

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine (CID 63496855) is N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1COc1ccc(Br)cc1C.
What is the InChIKey of N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine?
The InChIKey is VPOCYSUCRWDFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-19-11-14-6-4-5-7-15(14)12-20-17-9-8-16(18)10-13(17)2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine?
N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 63496855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).