N-[(3-methoxyphenoxy)methyl]-3-methylaniline

C15H17NO2 — CID 20614875

IUPACN-[(3-methoxyphenoxy)methyl]-3-methylaniline
SMILESCOc1cccc(OCNc2cccc(C)c2)c1
InChIInChI=1S/C15H17NO2/c1-12-5-3-6-13(9-12)16-11-18-15-8-4-7-14(10-15)17-2/h3-10,16H,11H2,1-2H3
InChIKeyXNMABKBLRWCKRO-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.45
Rot. Bonds5

About N-[(3-methoxyphenoxy)methyl]-3-methylaniline

N-[(3-methoxyphenoxy)methyl]-3-methylaniline (PubChem CID 20614875) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(3-methoxyphenoxy)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(3-methoxyphenoxy)methyl]-3-methylaniline
PubChem CID20614875
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[(3-methoxyphenoxy)methyl]-3-methylaniline
SMILESCOc1cccc(OCNc2cccc(C)c2)c1
InChIInChI=1S/C15H17NO2/c1-12-5-3-6-13(9-12)16-11-18-15-8-4-7-14(10-15)17-2/h3-10,16H,11H2,1-2H3
InChIKeyXNMABKBLRWCKRO-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenoxy)methyl]-3-methylaniline
CID 20614867
N'-(3-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806936
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
CID 54763230
dibromozinc;1-methoxy-3-methylbenzene
CID 174778631
ethane;N-ethyl-3-methoxyaniline
CID 142222302
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline
CID 55092023
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62698211

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenoxy)methyl]-3-methylaniline?
The IUPAC name of N-[(3-methoxyphenoxy)methyl]-3-methylaniline (CID 20614875) is N-[(3-methoxyphenoxy)methyl]-3-methylaniline.
What is the SMILES notation for N-[(3-methoxyphenoxy)methyl]-3-methylaniline?
The canonical SMILES for N-[(3-methoxyphenoxy)methyl]-3-methylaniline is COc1cccc(OCNc2cccc(C)c2)c1.
What is the InChIKey of N-[(3-methoxyphenoxy)methyl]-3-methylaniline?
The InChIKey is XNMABKBLRWCKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12-5-3-6-13(9-12)16-11-18-15-8-4-7-14(10-15)17-2/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[(3-methoxyphenoxy)methyl]-3-methylaniline?
N-[(3-methoxyphenoxy)methyl]-3-methylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenoxy)methyl]-3-methylaniline is sourced from PubChem (CID 20614875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).