N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine

C15H21N3 — CID 63974955

IUPACN-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1nccn1C
InChIInChI=1S/C15H21N3/c1-3-16-14(15-17-11-12-18(15)2)10-9-13-7-5-4-6-8-13/h4-8,11-12,14,16H,3,9-10H2,1-2H3
InChIKeyXVZUAUCRWNNGFH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.70
Rot. Bonds6

About N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine

N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine (PubChem CID 63974955) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
PubChem CID63974955
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)c1nccn1C
InChIInChI=1S/C15H21N3/c1-3-16-14(15-17-11-12-18(15)2)10-9-13-7-5-4-6-8-13/h4-8,11-12,14,16H,3,9-10H2,1-2H3
InChIKeyXVZUAUCRWNNGFH-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
CID 63976652
N-methyl-1-(1-methylimidazol-2-yl)-2-phenylethanamine
CID 63976862
N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
CID 66097173
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)propan-1-amine
CID 105149854
N-ethyl-2-(furan-3-yl)-1-(1-methylimidazol-2-yl)ethanamine
CID 83182674
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63974743
N-ethyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876707
N-ethyl-1-(1-methyltriazol-4-yl)-3-phenylpropan-1-amine
CID 112735791
1-methyl-N-(4-phenylbutan-2-yl)imidazol-2-amine
CID 62133485
N-ethyl-1-(2-methoxy-3-pyridinyl)-3-phenylpropan-1-amine
CID 105094165
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine (CID 63974955) is N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)c1nccn1C.
What is the InChIKey of N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine?
The InChIKey is XVZUAUCRWNNGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-16-14(15-17-11-12-18(15)2)10-9-13-7-5-4-6-8-13/h4-8,11-12,14,16H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine?
N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 63974955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).