(1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine

C16H23N3 — CID 124731647

IUPAC(1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine
SMILESCC[C@H](c1ccccc1)N(C)Cc1cncn1CC
InChIInChI=1S/C16H23N3/c1-4-16(14-9-7-6-8-10-14)18(3)12-15-11-17-13-19(15)5-2/h6-11,13,16H,4-5,12H2,1-3H3/t16-/m1/s1
InChIKeyUBQUZASUZDHRKG-MRXNPFEDSA-N
MW257.38 g/mol
LogP3.49
Rot. Bonds6

About (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine

(1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine (PubChem CID 124731647) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine
PubChem CID124731647
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine
SMILESCC[C@H](c1ccccc1)N(C)Cc1cncn1CC
InChIInChI=1S/C16H23N3/c1-4-16(14-9-7-6-8-10-14)18(3)12-15-11-17-13-19(15)5-2/h6-11,13,16H,4-5,12H2,1-3H3/t16-/m1/s1
InChIKeyUBQUZASUZDHRKG-MRXNPFEDSA-N
XLogP3.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192905
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
N'-benzyl-N'-[(3-ethylimidazol-4-yl)methyl]propane-1,3-diamine
CID 107365079
N-[(3-ethylimidazol-4-yl)methyl]-1-phenylbutan-1-amine
CID 66132973
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
2-[(3-ethylimidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 66153386
N'-butan-2-yl-N-[(3-ethylimidazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 114132517
2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol
CID 102636558
N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66133908
1-(3-ethylimidazol-4-yl)butan-2-amine
CID 66132539
2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol
CID 104554083
N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]-1-pyridin-4-ylpropan-1-amine
CID 75435403

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine (CID 124731647) is (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine is CC[C@H](c1ccccc1)N(C)Cc1cncn1CC.
What is the InChIKey of (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine?
The InChIKey is UBQUZASUZDHRKG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-16(14-9-7-6-8-10-14)18(3)12-15-11-17-13-19(15)5-2/h6-11,13,16H,4-5,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine?
(1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 124731647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).