1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine

C13H15N3 — CID 115028406

IUPAC1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine
SMILESCn1cncc1-c1ccccc1C1(N)CC1
InChIInChI=1S/C13H15N3/c1-16-9-15-8-12(16)10-4-2-3-5-11(10)13(14)6-7-13/h2-5,8-9H,6-7,14H2,1H3
InChIKeyYNIHHGOBRHZANZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.03
Rot. Bonds2

About 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine

1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine (PubChem CID 115028406) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine
PubChem CID115028406
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine
SMILESCn1cncc1-c1ccccc1C1(N)CC1
InChIInChI=1S/C13H15N3/c1-16-9-15-8-12(16)10-4-2-3-5-11(10)13(14)6-7-13/h2-5,8-9H,6-7,14H2,1H3
InChIKeyYNIHHGOBRHZANZ-UHFFFAOYSA-N
XLogP2.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine (CID 115028406) is 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine is Cn1cncc1-c1ccccc1C1(N)CC1.
What is the InChIKey of 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine?
The InChIKey is YNIHHGOBRHZANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-9-15-8-12(16)10-4-2-3-5-11(10)13(14)6-7-13/h2-5,8-9H,6-7,14H2,1H3.
What are the key properties of 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine?
1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylimidazol-4-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 115028406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).