2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine

C17H20ClNO — CID 115464549

IUPAC2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1COCc1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-19-11-10-14-6-2-3-7-15(14)12-20-13-16-8-4-5-9-17(16)18/h2-9,19H,10-13H2,1H3
InChIKeyITOPACMIYULSCV-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine

2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine (PubChem CID 115464549) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine
PubChem CID115464549
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1COCc1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-19-11-10-14-6-2-3-7-15(14)12-20-13-16-8-4-5-9-17(16)18/h2-9,19H,10-13H2,1H3
InChIKeyITOPACMIYULSCV-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
CID 113314819
2-[2-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464894
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
N-methyl-2-[2-[(4-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464530
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
CID 70453735
1-[5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55072783
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
CID 62566151
[4-[(2-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
CID 103438617

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine (CID 115464549) is 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine is CNCCc1ccccc1COCc1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine?
The InChIKey is ITOPACMIYULSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19-11-10-14-6-2-3-7-15(14)12-20-13-16-8-4-5-9-17(16)18/h2-9,19H,10-13H2,1H3.
What are the key properties of 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine?
2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine has a molecular weight of 289.81 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 115464549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).