1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine

C14H20ClN3 — CID 56996010

IUPAC1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine
SMILESCCN1CCN=C1C(C)(N)c1cccc(C)c1Cl
InChIInChI=1S/C14H20ClN3/c1-4-18-9-8-17-13(18)14(3,16)11-7-5-6-10(2)12(11)15/h5-7H,4,8-9,16H2,1-3H3
InChIKeyWHVOBGHQMSPOIW-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine

1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine (PubChem CID 56996010) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine
PubChem CID56996010
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine
SMILESCCN1CCN=C1C(C)(N)c1cccc(C)c1Cl
InChIInChI=1S/C14H20ClN3/c1-4-18-9-8-17-13(18)14(3,16)11-7-5-6-10(2)12(11)15/h5-7H,4,8-9,16H2,1-3H3
InChIKeyWHVOBGHQMSPOIW-UHFFFAOYSA-N
XLogP2.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine (CID 56996010) is 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine is CCN1CCN=C1C(C)(N)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine?
The InChIKey is WHVOBGHQMSPOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-4-18-9-8-17-13(18)14(3,16)11-7-5-6-10(2)12(11)15/h5-7H,4,8-9,16H2,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine?
1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine has a molecular weight of 265.79 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine is sourced from PubChem (CID 56996010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).