N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine

C13H17N3 — CID 19841742

IUPACN-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
SMILESCNCc1cncn1C(C)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11(12-6-4-3-5-7-12)16-10-15-9-13(16)8-14-2/h3-7,9-11,14H,8H2,1-2H3
InChIKeyHQZQVRKMQIRDBF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.21
Rot. Bonds4

About N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine

N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine (PubChem CID 19841742) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
PubChem CID19841742
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
SMILESCNCc1cncn1C(C)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11(12-6-4-3-5-7-12)16-10-15-9-13(16)8-14-2/h3-7,9-11,14H,8H2,1-2H3
InChIKeyHQZQVRKMQIRDBF-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine (CID 19841742) is N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine is CNCc1cncn1C(C)c1ccccc1.
What is the InChIKey of N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine?
The InChIKey is HQZQVRKMQIRDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(12-6-4-3-5-7-12)16-10-15-9-13(16)8-14-2/h3-7,9-11,14H,8H2,1-2H3.
What are the key properties of N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine?
N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 19841742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).