1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine

C16H18ClNO2 — CID 114857389

IUPAC1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1Oc1cccc(COC)c1
InChIInChI=1S/C16H18ClNO2/c1-18-10-13-9-14(17)6-7-16(13)20-15-5-3-4-12(8-15)11-19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyPOMBIUIOBQNFMK-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.00
Rot. Bonds6

About 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine

1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine (PubChem CID 114857389) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
PubChem CID114857389
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1Oc1cccc(COC)c1
InChIInChI=1S/C16H18ClNO2/c1-18-10-13-9-14(17)6-7-16(13)20-15-5-3-4-12(8-15)11-19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyPOMBIUIOBQNFMK-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226
1-[5-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856490
1-[5-chloro-2-(4-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 114855838
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
1-[5-chloro-2-(4-chlorophenoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 126796195
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 114928698
N-[[3-chloro-4-[3-(methoxymethyl)phenoxy]phenyl]methyl]ethanamine
CID 81151403
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine (CID 114857389) is 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1Oc1cccc(COC)c1.
What is the InChIKey of 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine?
The InChIKey is POMBIUIOBQNFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-18-10-13-9-14(17)6-7-16(13)20-15-5-3-4-12(8-15)11-19-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine?
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine has a molecular weight of 291.78 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114857389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).