1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine

C14H17N3 — CID 117327392

IUPAC1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C14H17N3/c1-11(15)14(6-7-14)12-2-4-13(5-3-12)17-9-8-16-10-17/h2-5,8-11H,6-7,15H2,1H3
InChIKeyXIOCZBHXNQLETA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.25
Rot. Bonds3

About 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine

1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine (PubChem CID 117327392) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine
PubChem CID117327392
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C14H17N3/c1-11(15)14(6-7-14)12-2-4-13(5-3-12)17-9-8-16-10-17/h2-5,8-11H,6-7,15H2,1H3
InChIKeyXIOCZBHXNQLETA-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
1-[4-hydroxy-4-(4-imidazol-1-ylphenyl)piperidin-1-yl]ethanone
CID 23118279
1-(4-imidazol-1-ylphenyl)cyclopentane-1-carboxylic acid
CID 117394133
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853
1-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]piperazine-2,5-dione
CID 117436054
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine
CID 55278574
(4-imidazol-1-ylphenyl)arsane
CID 173134933
1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 30840348

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine (CID 117327392) is 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine is CC(N)C1(c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine?
The InChIKey is XIOCZBHXNQLETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11(15)14(6-7-14)12-2-4-13(5-3-12)17-9-8-16-10-17/h2-5,8-11H,6-7,15H2,1H3.
What are the key properties of 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine?
1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-imidazol-1-ylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117327392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).