N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline

C18H19N3 — CID 166206214

IUPACN-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline
SMILESCN(Cc1cncn1C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-20(13-18-12-19-14-21(18)2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyRXNUAEXDCWIAGH-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.72
Rot. Bonds4

About N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline

N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline (PubChem CID 166206214) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline.

Molecular Properties

Compound NameN-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline
PubChem CID166206214
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline
SMILESCN(Cc1cncn1C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-20(13-18-12-19-14-21(18)2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3
InChIKeyRXNUAEXDCWIAGH-UHFFFAOYSA-N
XLogP3.72
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline?
The IUPAC name of N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline (CID 166206214) is N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline.
What is the SMILES notation for N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline?
The canonical SMILES for N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline is CN(Cc1cncn1C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline?
The InChIKey is RXNUAEXDCWIAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-20(13-18-12-19-14-21(18)2)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline?
N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline has a molecular weight of 277.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylimidazol-4-yl)methyl]-4-phenylaniline is sourced from PubChem (CID 166206214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).