(2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride

C12H16Cl3N3 — CID 19889679

IUPAC(2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride
SMILESCCN1CCN=C1C(N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C12H15Cl2N3.ClH/c1-2-17-7-6-16-12(17)11(15)8-4-3-5-9(13)10(8)14;/h3-5,11H,2,6-7,15H2,1H3;1H
InChIKeySZSFEXUIPUHXFQ-UHFFFAOYSA-N
MW308.64 g/mol
LogP3.15
Rot. Bonds3

About (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride

(2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride (PubChem CID 19889679) has the molecular formula C12H16Cl3N3 and a molecular weight of 308.64 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride
PubChem CID19889679
Molecular FormulaC12H16Cl3N3
Molecular Weight308.64 g/mol
Exact Mass307.04
IUPAC Name(2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride
SMILESCCN1CCN=C1C(N)c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C12H15Cl2N3.ClH/c1-2-17-7-6-16-12(17)11(15)8-4-3-5-9(13)10(8)14;/h3-5,11H,2,6-7,15H2,1H3;1H
InChIKeySZSFEXUIPUHXFQ-UHFFFAOYSA-N
XLogP3.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,3-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028441
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
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CID 19889801
(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine
CID 43108281
(2,3-dichlorophenyl)methanediamine
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3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride
CID 67899901
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
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CID 171247920

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride (CID 19889679) is (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride is CCN1CCN=C1C(N)c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride?
The InChIKey is SZSFEXUIPUHXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3.ClH/c1-2-17-7-6-16-12(17)11(15)8-4-3-5-9(13)10(8)14;/h3-5,11H,2,6-7,15H2,1H3;1H.
What are the key properties of (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride?
(2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride has a molecular weight of 308.64 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(1-ethyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 19889679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).