(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride

C13H18ClN3O2 — CID 52983573

IUPAC(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride
SMILESCOc1ccc(C(N)c2nccn2C)cc1OC.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-16-7-6-15-13(16)12(14)9-4-5-10(17-2)11(8-9)18-3;/h4-8,12H,14H2,1-3H3;1H
InChIKeyPZWGDTNFVGVKTA-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.91
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride

(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride (PubChem CID 52983573) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride
PubChem CID52983573
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride
SMILESCOc1ccc(C(N)c2nccn2C)cc1OC.Cl
InChIInChI=1S/C13H17N3O2.ClH/c1-16-7-6-15-13(16)12(14)9-4-5-10(17-2)11(8-9)18-3;/h4-8,12H,14H2,1-3H3;1H
InChIKeyPZWGDTNFVGVKTA-UHFFFAOYSA-N
XLogP1.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 9115286
(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 106791541
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 63195529
(R)-(4-bromophenyl)-(1-methylimidazol-2-yl)methanamine
CID 42220181
(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 103523504
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316123
(6-methoxypyrimidin-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102950782
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63553809
(2S)-N-[(R)-(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methoxy-2-phenylacetamide
CID 95806845
3,4-dimethoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46528524
(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544947
(R)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
CID 97287702

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride (CID 52983573) is (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride is COc1ccc(C(N)c2nccn2C)cc1OC.Cl.
What is the InChIKey of (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride?
The InChIKey is PZWGDTNFVGVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c1-16-7-6-15-13(16)12(14)9-4-5-10(17-2)11(8-9)18-3;/h4-8,12H,14H2,1-3H3;1H.
What are the key properties of (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride?
(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 52983573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).