1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine

C15H21N3 — CID 61324694

IUPAC1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCc1ccc(C(C)NCCn2ccnc2)cc1C
InChIInChI=1S/C15H21N3/c1-12-4-5-15(10-13(12)2)14(3)17-7-9-18-8-6-16-11-18/h4-6,8,10-11,14,17H,7,9H2,1-3H3
InChIKeyUJEIMOZUMBWHNK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.85
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine

1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine (PubChem CID 61324694) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
PubChem CID61324694
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
SMILESCc1ccc(C(C)NCCn2ccnc2)cc1C
InChIInChI=1S/C15H21N3/c1-12-4-5-15(10-13(12)2)14(3)17-7-9-18-8-6-16-11-18/h4-6,8,10-11,14,17H,7,9H2,1-3H3
InChIKeyUJEIMOZUMBWHNK-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 61326129
N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695962
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-imidazol-1-ylacetamide
CID 36795605
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
6-[1-(2-imidazol-1-ylethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 61323673
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine;dihydrochloride
CID 19429517
2-[1-(2-imidazol-1-ylethylamino)ethyl]benzene-1,4-diol
CID 61325507
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323680
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine (CID 61324694) is 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine is Cc1ccc(C(C)NCCn2ccnc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
The InChIKey is UJEIMOZUMBWHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-4-5-15(10-13(12)2)14(3)17-7-9-18-8-6-16-11-18/h4-6,8,10-11,14,17H,7,9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine?
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine is sourced from PubChem (CID 61324694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).