N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline

C16H19NO — CID 54763230

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
SMILESCOc1ccc(CCNc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO/c1-13-4-3-5-15(12-13)17-11-10-14-6-8-16(18-2)9-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyBVQLPDHSFGGCJU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.66
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline

N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline (PubChem CID 54763230) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
PubChem CID54763230
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-methylaniline
SMILESCOc1ccc(CCNc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO/c1-13-4-3-5-15(12-13)17-11-10-14-6-8-16(18-2)9-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyBVQLPDHSFGGCJU-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-methylaniline
CID 57041855
3-(chloromethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446140
N-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxyaniline
CID 54802782
N-[2-(4-methoxyphenyl)sulfanylethyl]-3-methylaniline
CID 55092023
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
N-[2-(4-methoxyphenyl)ethyl]-3-(3-phenylpropoxy)aniline
CID 54801882
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
N-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylaniline
CID 23991308
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-[2-(4-methoxyphenyl)ethyl]-4-methylpyridin-2-amine
CID 59643127
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531
4-[2-(4-methoxyphenyl)ethylamino]-2-methylbenzamide
CID 71978056

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline (CID 54763230) is N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline is COc1ccc(CCNc2cccc(C)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline?
The InChIKey is BVQLPDHSFGGCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-4-3-5-15(12-13)17-11-10-14-6-8-16(18-2)9-7-14/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline?
N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline has a molecular weight of 241.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-methylaniline is sourced from PubChem (CID 54763230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).