3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine

C14H19N3 — CID 57082680

IUPAC3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
SMILESNCCCn1ccnc1CCc1ccccc1
InChIInChI=1S/C14H19N3/c15-9-4-11-17-12-10-16-14(17)8-7-13-5-2-1-3-6-13/h1-3,5-6,10,12H,4,7-9,11,15H2
InChIKeyNCXBIDNKWFDSIU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.02
Rot. Bonds6

About 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine

3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine (PubChem CID 57082680) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
PubChem CID57082680
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
SMILESNCCCn1ccnc1CCc1ccccc1
InChIInChI=1S/C14H19N3/c15-9-4-11-17-12-10-16-14(17)8-7-13-5-2-1-3-6-13/h1-3,5-6,10,12H,4,7-9,11,15H2
InChIKeyNCXBIDNKWFDSIU-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine
CID 82558268
N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 82558274
2-(chloromethyl)-1-(4-phenylbutyl)imidazole
CID 114334337
3-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]propan-1-amine
CID 82557807
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
CID 102940394
4-[2-[(3-bromophenyl)methyl]imidazol-1-yl]butan-1-amine
CID 82558169
3-[2-[(3-nitrophenyl)methyl]imidazol-1-yl]propan-1-amine
CID 82558751
3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine
CID 82558131
3-[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]propan-1-amine
CID 82558553
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
CID 82561044
4-[[1-(4-aminobutyl)imidazol-2-yl]methyl]aniline
CID 82558650

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine (CID 57082680) is 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine is NCCCn1ccnc1CCc1ccccc1.
What is the InChIKey of 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine?
The InChIKey is NCXBIDNKWFDSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-9-4-11-17-12-10-16-14(17)8-7-13-5-2-1-3-6-13/h1-3,5-6,10,12H,4,7-9,11,15H2.
What are the key properties of 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine?
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 57082680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).