2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine

C15H21N3O — CID 105011417

IUPAC2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2nccn2C)c1
InChIInChI=1S/C15H21N3O/c1-3-9-19-13-6-4-5-12(10-13)14(16)11-15-17-7-8-18(15)2/h4-8,10,14H,3,9,11,16H2,1-2H3
InChIKeyXWDXMKXNUZDCHT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.45
Rot. Bonds6

About 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine

2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine (PubChem CID 105011417) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
PubChem CID105011417
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2nccn2C)c1
InChIInChI=1S/C15H21N3O/c1-3-9-19-13-6-4-5-12(10-13)14(16)11-15-17-7-8-18(15)2/h4-8,10,14H,3,9,11,16H2,1-2H3
InChIKeyXWDXMKXNUZDCHT-UHFFFAOYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propoxyphenyl)-2-pyridin-2-ylethanamine
CID 55131965
2-(1-methylimidazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112727320
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 105024540
1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 171986196
2-(1-methylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755605
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(3-propoxyphenyl)acetic acid
CID 97208224
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019755
1-(3-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580367
2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
CID 107311964
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-propoxyphenyl)ethanamine
CID 105023564
1-(3,5-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 115580385

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine (CID 105011417) is 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(N)Cc2nccn2C)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
The InChIKey is XWDXMKXNUZDCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-19-13-6-4-5-12(10-13)14(16)11-15-17-7-8-18(15)2/h4-8,10,14H,3,9,11,16H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine?
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 105011417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).