N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine

C15H21N3 — CID 63974370

IUPACN-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
SMILESCCCn1ccnc1-c1ccccc1CNCC
InChIInChI=1S/C15H21N3/c1-3-10-18-11-9-17-15(18)14-8-6-5-7-13(14)12-16-4-2/h5-9,11,16H,3-4,10,12H2,1-2H3
InChIKeyLXNGVEHYKHOLAU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.07
Rot. Bonds6

About N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine

N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine (PubChem CID 63974370) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
PubChem CID63974370
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
SMILESCCCn1ccnc1-c1ccccc1CNCC
InChIInChI=1S/C15H21N3/c1-3-10-18-11-9-17-15(18)14-8-6-5-7-13(14)12-16-4-2/h5-9,11,16H,3-4,10,12H2,1-2H3
InChIKeyLXNGVEHYKHOLAU-UHFFFAOYSA-N
XLogP3.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 81447747
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507
2-methyl-4-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]butan-2-ol
CID 146046653
1-[5-chloro-2-(1-propylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 66159923
1-naphthalen-1-yl-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 62956328
N-methyl-2-[2-[2-(pyrazol-1-ylmethyl)phenyl]imidazol-1-yl]ethanesulfonamide
CID 70729808
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
N-ethyl-2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]ethanamine
CID 115464316
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
N-[(2-fluorophenyl)methyl]-1-propylimidazol-2-amine
CID 106559103
2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine
CID 82562220

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine (CID 63974370) is N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine is CCCn1ccnc1-c1ccccc1CNCC.
What is the InChIKey of N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine?
The InChIKey is LXNGVEHYKHOLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-10-18-11-9-17-15(18)14-8-6-5-7-13(14)12-16-4-2/h5-9,11,16H,3-4,10,12H2,1-2H3.
What are the key properties of N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine?
N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63974370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).