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

C16H19NO — CID 686951

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-methylaniline
SMILESCOc1ccc(CCNc2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO/c1-13-3-7-15(8-4-13)17-12-11-14-5-9-16(18-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyZRRBAZPTYVNIAS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.66
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline (PubChem CID 686951) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-methylaniline
PubChem CID686951
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-methylaniline
SMILESCOc1ccc(CCNc2ccc(C)cc2)cc1
InChIInChI=1S/C16H19NO/c1-13-3-7-15(8-4-13)17-12-11-14-5-9-16(18-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyZRRBAZPTYVNIAS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline (CID 686951) is N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline is COc1ccc(CCNc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline?
The InChIKey is ZRRBAZPTYVNIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-3-7-15(8-4-13)17-12-11-14-5-9-16(18-2)10-6-14/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-methylaniline?
N-[2-(4-methoxyphenyl)ethyl]-4-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]-4-methylaniline is sourced from PubChem (CID 686951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).