N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine

C14H19N3 — CID 43284758

IUPACN-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-n1ccnc1
InChIInChI=1S/C14H19N3/c1-3-8-16-12(2)13-6-4-5-7-14(13)17-10-9-15-11-17/h4-7,9-12,16H,3,8H2,1-2H3
InChIKeyRVWSLISOWIJIBP-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine

N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine (PubChem CID 43284758) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine
PubChem CID43284758
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-n1ccnc1
InChIInChI=1S/C14H19N3/c1-3-8-16-12(2)13-6-4-5-7-14(13)17-10-9-15-11-17/h4-7,9-12,16H,3,8H2,1-2H3
InChIKeyRVWSLISOWIJIBP-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine (CID 43284758) is N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine is CCCNC(C)c1ccccc1-n1ccnc1.
What is the InChIKey of N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine?
The InChIKey is RVWSLISOWIJIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-8-16-12(2)13-6-4-5-7-14(13)17-10-9-15-11-17/h4-7,9-12,16H,3,8H2,1-2H3.
What are the key properties of N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine?
N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43284758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).