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

C16H26N2O3 — CID 106602528

IUPACN-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(CN(C)CC2CCCN2)cc(OC)c1OC
InChIInChI=1S/C16H26N2O3/c1-18(11-13-6-5-7-17-13)10-12-8-14(19-2)16(21-4)15(9-12)20-3/h8-9,13,17H,5-7,10-11H2,1-4H3
InChIKeyAISIHYMYNSNDSE-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.90
Rot. Bonds7

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

N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 106602528) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID106602528
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(CN(C)CC2CCCN2)cc(OC)c1OC
InChIInChI=1S/C16H26N2O3/c1-18(11-13-6-5-7-17-13)10-12-8-14(19-2)16(21-4)15(9-12)20-3/h8-9,13,17H,5-7,10-11H2,1-4H3
InChIKeyAISIHYMYNSNDSE-UHFFFAOYSA-N
XLogP1.90
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 115208323
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
N-methyl-1-pyrrolidin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)methanamine
CID 115208315
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613733
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2,3-dimethoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117368202
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602786
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613582
2-(3-fluoro-4-methoxyphenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208444

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine (CID 106602528) is N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine is COc1cc(CN(C)CC2CCCN2)cc(OC)c1OC.
What is the InChIKey of N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is AISIHYMYNSNDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-18(11-13-6-5-7-17-13)10-12-8-14(19-2)16(21-4)15(9-12)20-3/h8-9,13,17H,5-7,10-11H2,1-4H3.
What are the key properties of N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 294.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 106602528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).