N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine

C15H21N3O — CID 60882800

IUPACN-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C15H21N3O/c1-13(2)17-11-14-4-3-5-15(10-14)19-9-8-18-7-6-16-12-18/h3-7,10,12-13,17H,8-9,11H2,1-2H3
InChIKeyOQQNKOLRCPGJGY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds7

About N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine

N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 60882800) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID60882800
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C15H21N3O/c1-13(2)17-11-14-4-3-5-15(10-14)19-9-8-18-7-6-16-12-18/h3-7,10,12-13,17H,8-9,11H2,1-2H3
InChIKeyOQQNKOLRCPGJGY-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
CID 60883624
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
4-(ethylsulfanylmethyl)-N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]aniline
CID 166235229
N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 60878720
3-imidazol-1-yl-N-[(3-pentoxyphenyl)methyl]propan-1-amine
CID 54848865
2-[3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 43791920
1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 61212248
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine (CID 60882800) is N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(OCCn2ccnc2)c1.
What is the InChIKey of N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is OQQNKOLRCPGJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(2)17-11-14-4-3-5-15(10-14)19-9-8-18-7-6-16-12-18/h3-7,10,12-13,17H,8-9,11H2,1-2H3.
What are the key properties of N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine?
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60882800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).