N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine

C15H19N3O2 — CID 86818574

IUPACN-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
SMILESCC(NCC1OCCO1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H19N3O2/c1-12(17-10-15-19-7-8-20-15)13-3-2-4-14(9-13)18-6-5-16-11-18/h2-6,9,11-12,15,17H,7-8,10H2,1H3
InChIKeyHFULJLBSPYFHQP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.90
Rot. Bonds5

About N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine

N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine (PubChem CID 86818574) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
PubChem CID86818574
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
SMILESCC(NCC1OCCO1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H19N3O2/c1-12(17-10-15-19-7-8-20-15)13-3-2-4-14(9-13)18-6-5-16-11-18/h2-6,9,11-12,15,17H,7-8,10H2,1H3
InChIKeyHFULJLBSPYFHQP-UHFFFAOYSA-N
XLogP1.90
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-imidazol-1-ylphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 86806189
[4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol
CID 99858451
(2S)-1,1,1-trifluoro-3-[[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]amino]propan-2-ol
CID 99858446
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120942758
1-ethyl-3-[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95969128
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 166200441
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551
1-cyclopentyl-N-[1-(3-imidazol-1-ylphenyl)ethyl]piperidin-4-amine
CID 154750461
1-[3-(1,3-dioxolan-2-yl)phenyl]imidazole
CID 10013545

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine (CID 86818574) is N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine is CC(NCC1OCCO1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine?
The InChIKey is HFULJLBSPYFHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12(17-10-15-19-7-8-20-15)13-3-2-4-14(9-13)18-6-5-16-11-18/h2-6,9,11-12,15,17H,7-8,10H2,1H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine?
N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine has a molecular weight of 273.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 86818574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).