(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine

C16H23N3O — CID 104942509

IUPAC(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
SMILESCCOCC(C)n1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-20-11-13(2)19-12-18-10-16(19)15(17)9-14-7-5-4-6-8-14/h4-8,10,12-13,15H,3,9,11,17H2,1-2H3/t13?,15-/m1/s1
InChIKeyVSKPOTHYPIWDIF-AWKYBWMHSA-N
MW273.38 g/mol
LogP2.72
Rot. Bonds7

About (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine

(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine (PubChem CID 104942509) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
PubChem CID104942509
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
SMILESCCOCC(C)n1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-20-11-13(2)19-12-18-10-16(19)15(17)9-14-7-5-4-6-8-14/h4-8,10,12-13,15H,3,9,11,17H2,1-2H3/t13?,15-/m1/s1
InChIKeyVSKPOTHYPIWDIF-AWKYBWMHSA-N
XLogP2.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198
(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942446
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
(1R)-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943877
(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
CID 104941453
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240
(1R)-1-[3-[1-(furan-2-yl)propan-2-yl]imidazol-4-yl]propan-1-amine
CID 104942476
1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
CID 114702976
(1R)-1-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]-2-phenylethanamine
CID 104943111
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
(1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104944006

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine (CID 104942509) is (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine is CCOCC(C)n1cncc1[C@H](N)Cc1ccccc1.
What is the InChIKey of (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine?
The InChIKey is VSKPOTHYPIWDIF-AWKYBWMHSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-20-11-13(2)19-12-18-10-16(19)15(17)9-14-7-5-4-6-8-14/h4-8,10,12-13,15H,3,9,11,17H2,1-2H3/t13?,15-/m1/s1.
What are the key properties of (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine?
(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine is sourced from PubChem (CID 104942509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).