2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine

C15H19N3 — CID 115054959

IUPAC2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(-c2cncn2C2CC2)cc1
InChIInChI=1S/C15H19N3/c1-16-9-8-12-2-4-13(5-3-12)15-10-17-11-18(15)14-6-7-14/h2-5,10-11,14,16H,6-9H2,1H3
InChIKeyYZRLESMPNSJAEO-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine

2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine (PubChem CID 115054959) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine
PubChem CID115054959
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(-c2cncn2C2CC2)cc1
InChIInChI=1S/C15H19N3/c1-16-9-8-12-2-4-13(5-3-12)15-10-17-11-18(15)14-6-7-14/h2-5,10-11,14,16H,6-9H2,1H3
InChIKeyYZRLESMPNSJAEO-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine (CID 115054959) is 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine is CNCCc1ccc(-c2cncn2C2CC2)cc1.
What is the InChIKey of 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine?
The InChIKey is YZRLESMPNSJAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-16-9-8-12-2-4-13(5-3-12)15-10-17-11-18(15)14-6-7-14/h2-5,10-11,14,16H,6-9H2,1H3.
What are the key properties of 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine?
2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropylimidazol-4-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 115054959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).