1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride

C14H22ClN3 — CID 19889788

IUPAC1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride
SMILESCNC(C1=NCCN1C)c1cccc(C)c1C.Cl
InChIInChI=1S/C14H21N3.ClH/c1-10-6-5-7-12(11(10)2)13(15-3)14-16-8-9-17(14)4;/h5-7,13,15H,8-9H2,1-4H3;1H
InChIKeyVJBFPROAXWGBMM-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.33
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride

1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride (PubChem CID 19889788) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride
PubChem CID19889788
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride
SMILESCNC(C1=NCCN1C)c1cccc(C)c1C.Cl
InChIInChI=1S/C14H21N3.ClH/c1-10-6-5-7-12(11(10)2)13(15-3)14-16-8-9-17(14)4;/h5-7,13,15H,8-9H2,1-4H3;1H
InChIKeyVJBFPROAXWGBMM-UHFFFAOYSA-N
XLogP2.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-2-ylmethanamine
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1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
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1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085229
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 113455239
1-(2,3-dimethylphenyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222475
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride (CID 19889788) is 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride is CNC(C1=NCCN1C)c1cccc(C)c1C.Cl.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride?
The InChIKey is VJBFPROAXWGBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3.ClH/c1-10-6-5-7-12(11(10)2)13(15-3)14-16-8-9-17(14)4;/h5-7,13,15H,8-9H2,1-4H3;1H.
What are the key properties of 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride?
1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-methyl-1-(1-methyl-4,5-dihydroimidazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 19889788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).