N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine

C16H17BrClNO — CID 63499927

IUPACN-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-2-19-10-12-7-5-8-14(17)16(12)20-11-13-6-3-4-9-15(13)18/h3-9,19H,2,10-11H2,1H3
InChIKeyJKZOIIFJESDYAT-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.79
Rot. Bonds6

About N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine

N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63499927) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
PubChem CID63499927
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC NameN-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-2-19-10-12-7-5-8-14(17)16(12)20-11-13-6-3-4-9-15(13)18/h3-9,19H,2,10-11H2,1H3
InChIKeyJKZOIIFJESDYAT-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63501536
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 62699145
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952900
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63498834
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 61390095
N-[[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115953026
1-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17206090
N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63020469
N-[[3-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 61390087

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine (CID 63499927) is N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(Br)c1OCc1ccccc1Cl.
What is the InChIKey of N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is JKZOIIFJESDYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-2-19-10-12-7-5-8-14(17)16(12)20-11-13-6-3-4-9-15(13)18/h3-9,19H,2,10-11H2,1H3.
What are the key properties of N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine?
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 354.68 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63499927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).