2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine

C16H18ClNO — CID 105350569

IUPAC2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-18-11-10-13-2-4-14(5-3-13)12-19-16-8-6-15(17)7-9-16/h2-9,18H,10-12H2,1H3
InChIKeyXNYAEGJQNASNIK-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.68
Rot. Bonds6

About 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine

2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine (PubChem CID 105350569) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
PubChem CID105350569
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-18-11-10-13-2-4-14(5-3-13)12-19-16-8-6-15(17)7-9-16/h2-9,18H,10-12H2,1H3
InChIKeyXNYAEGJQNASNIK-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
N-methyl-2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350936
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292545
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-N',N'-diethylethane-1,2-diamine
CID 4720085
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115495018
2-bromo-4-[(4-chlorophenoxy)methyl]-1-methylbenzene
CID 117221919
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine (CID 105350569) is 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine is CNCCc1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine?
The InChIKey is XNYAEGJQNASNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18-11-10-13-2-4-14(5-3-13)12-19-16-8-6-15(17)7-9-16/h2-9,18H,10-12H2,1H3.
What are the key properties of 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine?
2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenoxy)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 105350569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).