[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C16H27ClN2O3 — CID 120780660

IUPAC[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-16(10-17)5-6-18(11-16)9-12-7-14(20-3)15(21-4)8-13(12)19-2;/h7-8H,5-6,9-11,17H2,1-4H3;1H
InChIKeyXTIUFBUNIXTJTM-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.30
Rot. Bonds6

About [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120780660) has the molecular formula C16H27ClN2O3 and a molecular weight of 330.86 g/mol. Its IUPAC name is [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120780660
Molecular FormulaC16H27ClN2O3
Molecular Weight330.86 g/mol
Exact Mass330.17
IUPAC Name[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C16H26N2O3.ClH/c1-16(10-17)5-6-18(11-16)9-12-7-14(20-3)15(21-4)8-13(12)19-2;/h7-8H,5-6,9-11,17H2,1-4H3;1H
InChIKeyXTIUFBUNIXTJTM-UHFFFAOYSA-N
XLogP2.30
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-4-bromo-2-methoxyphenol
CID 120780657
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120967311
[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780613
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967312
[1-[[6-(2-methoxyethoxy)-1,3-benzodioxol-5-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781000
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
[1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771819
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771938

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120780660) is [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is COc1cc(OC)c(OC)cc1CN1CCC(C)(CN)C1.Cl.
What is the InChIKey of [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is XTIUFBUNIXTJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.ClH/c1-16(10-17)5-6-18(11-16)9-12-7-14(20-3)15(21-4)8-13(12)19-2;/h7-8H,5-6,9-11,17H2,1-4H3;1H.
What are the key properties of [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120780660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).