N-methyl-4-(3-methylimidazol-4-yl)aniline

C11H13N3 — CID 154953693

IUPACN-methyl-4-(3-methylimidazol-4-yl)aniline
SMILESCNc1ccc(-c2cncn2C)cc1
InChIInChI=1S/C11H13N3/c1-12-10-5-3-9(4-6-10)11-7-13-8-14(11)2/h3-8,12H,1-2H3
InChIKeyFJGNZXRYKULSNC-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.13
Rot. Bonds2

About N-methyl-4-(3-methylimidazol-4-yl)aniline

N-methyl-4-(3-methylimidazol-4-yl)aniline (PubChem CID 154953693) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-methyl-4-(3-methylimidazol-4-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(3-methylimidazol-4-yl)aniline
PubChem CID154953693
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-methyl-4-(3-methylimidazol-4-yl)aniline
SMILESCNc1ccc(-c2cncn2C)cc1
InChIInChI=1S/C11H13N3/c1-12-10-5-3-9(4-6-10)11-7-13-8-14(11)2/h3-8,12H,1-2H3
InChIKeyFJGNZXRYKULSNC-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylimidazol-4-yl)aniline?
The IUPAC name of N-methyl-4-(3-methylimidazol-4-yl)aniline (CID 154953693) is N-methyl-4-(3-methylimidazol-4-yl)aniline.
What is the SMILES notation for N-methyl-4-(3-methylimidazol-4-yl)aniline?
The canonical SMILES for N-methyl-4-(3-methylimidazol-4-yl)aniline is CNc1ccc(-c2cncn2C)cc1.
What is the InChIKey of N-methyl-4-(3-methylimidazol-4-yl)aniline?
The InChIKey is FJGNZXRYKULSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-12-10-5-3-9(4-6-10)11-7-13-8-14(11)2/h3-8,12H,1-2H3.
What are the key properties of N-methyl-4-(3-methylimidazol-4-yl)aniline?
N-methyl-4-(3-methylimidazol-4-yl)aniline has a molecular weight of 187.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylimidazol-4-yl)aniline is sourced from PubChem (CID 154953693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).