1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

C16H26N2O — CID 116950925

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1cc(C)c(OC)c(C)c1C)C1CCCN1
InChIInChI=1S/C16H26N2O/c1-10-9-13(11(2)12(3)16(10)19-5)15(17-4)14-7-6-8-18-14/h9,14-15,17-18H,6-8H2,1-5H3
InChIKeyWNBNTBOOYBLDJY-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.63
Rot. Bonds4

About 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 116950925) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID116950925
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1cc(C)c(OC)c(C)c1C)C1CCCN1
InChIInChI=1S/C16H26N2O/c1-10-9-13(11(2)12(3)16(10)19-5)15(17-4)14-7-6-8-18-14/h9,14-15,17-18H,6-8H2,1-5H3
InChIKeyWNBNTBOOYBLDJY-UHFFFAOYSA-N
XLogP2.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950924
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884
1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950946
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
1-methoxy-1-(4-methoxy-2,3,5-trimethylphenyl)-N-methylmethanamine
CID 116961496
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951206
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
(4-methoxy-2,3,5-trimethylphenyl)-(methylamino)methanol
CID 116954672
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951152
1-(3-bromo-4-methoxyphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950896
(2-methoxy-3,5-dimethylphenyl)-piperidin-2-ylmethanol
CID 82341661

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 116950925) is 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is CNC(c1cc(C)c(OC)c(C)c1C)C1CCCN1.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is WNBNTBOOYBLDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10-9-13(11(2)12(3)16(10)19-5)15(17-4)14-7-6-8-18-14/h9,14-15,17-18H,6-8H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 116950925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).