1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride

C17H29ClN2O2 — CID 120897682

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
SMILESCOc1cc(C)c(CN(C)CC2(C)CCNC2)cc1OC.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-13-8-15(20-4)16(21-5)9-14(13)10-19(3)12-17(2)6-7-18-11-17;/h8-9,18H,6-7,10-12H2,1-5H3;1H
InChIKeyVGWYVSKVBJOMPT-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.87
Rot. Bonds6

About 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride

1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride (PubChem CID 120897682) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
PubChem CID120897682
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
SMILESCOc1cc(C)c(CN(C)CC2(C)CCNC2)cc1OC.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-13-8-15(20-4)16(21-5)9-14(13)10-19(3)12-17(2)6-7-18-11-17;/h8-9,18H,6-7,10-12H2,1-5H3;1H
InChIKeyVGWYVSKVBJOMPT-UHFFFAOYSA-N
XLogP2.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride (CID 120897682) is 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride is COc1cc(C)c(CN(C)CC2(C)CCNC2)cc1OC.Cl.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
The InChIKey is VGWYVSKVBJOMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-13-8-15(20-4)16(21-5)9-14(13)10-19(3)12-17(2)6-7-18-11-17;/h8-9,18H,6-7,10-12H2,1-5H3;1H.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 120897682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).