4-[(3-methoxyphenyl)methoxy]-N-methylaniline

C15H17NO2 — CID 39205064

IUPAC4-[(3-methoxyphenyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2cccc(OC)c2)cc1
InChIInChI=1S/C15H17NO2/c1-16-13-6-8-14(9-7-13)18-11-12-4-3-5-15(10-12)17-2/h3-10,16H,11H2,1-2H3
InChIKeyUTOLATKTARJIOX-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.32
Rot. Bonds5

About 4-[(3-methoxyphenyl)methoxy]-N-methylaniline

4-[(3-methoxyphenyl)methoxy]-N-methylaniline (PubChem CID 39205064) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methoxy]-N-methylaniline.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methoxy]-N-methylaniline
PubChem CID39205064
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[(3-methoxyphenyl)methoxy]-N-methylaniline
SMILESCNc1ccc(OCc2cccc(OC)c2)cc1
InChIInChI=1S/C15H17NO2/c1-16-13-6-8-14(9-7-13)18-11-12-4-3-5-15(10-12)17-2/h3-10,16H,11H2,1-2H3
InChIKeyUTOLATKTARJIOX-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
N-ethyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 43284865
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
1-(bromomethyl)-4-methoxy-2-[(3-methoxyphenyl)methoxy]benzene
CID 61267436
4-methoxy-6-[(3-methoxyphenyl)methoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80868535
2-[4-[(3-methoxyphenyl)methoxy]phenyl]-1,3-dithiolane
CID 19989635
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
N-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methylbenzenesulfonamide
CID 2489691

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methoxy]-N-methylaniline?
The IUPAC name of 4-[(3-methoxyphenyl)methoxy]-N-methylaniline (CID 39205064) is 4-[(3-methoxyphenyl)methoxy]-N-methylaniline.
What is the SMILES notation for 4-[(3-methoxyphenyl)methoxy]-N-methylaniline?
The canonical SMILES for 4-[(3-methoxyphenyl)methoxy]-N-methylaniline is CNc1ccc(OCc2cccc(OC)c2)cc1.
What is the InChIKey of 4-[(3-methoxyphenyl)methoxy]-N-methylaniline?
The InChIKey is UTOLATKTARJIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-13-6-8-14(9-7-13)18-11-12-4-3-5-15(10-12)17-2/h3-10,16H,11H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methoxy]-N-methylaniline?
4-[(3-methoxyphenyl)methoxy]-N-methylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methoxy]-N-methylaniline is sourced from PubChem (CID 39205064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).