N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline

C12H15N3 — CID 46222043

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H15N3/c1-10-2-4-11(5-3-10)14-7-6-12-8-13-9-15-12/h2-5,8-9,14H,6-7H2,1H3,(H,13,15)
InChIKeyOOTAMYWJHGNDAH-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline

N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline (PubChem CID 46222043) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline
PubChem CID46222043
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline
SMILESCc1ccc(NCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H15N3/c1-10-2-4-11(5-3-10)14-7-6-12-8-13-9-15-12/h2-5,8-9,14H,6-7H2,1H3,(H,13,15)
InChIKeyOOTAMYWJHGNDAH-UHFFFAOYSA-N
XLogP2.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline (CID 46222043) is N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline is Cc1ccc(NCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline?
The InChIKey is OOTAMYWJHGNDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-2-4-11(5-3-10)14-7-6-12-8-13-9-15-12/h2-5,8-9,14H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline?
N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline has a molecular weight of 201.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 46222043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).