1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

C16H26N2O2 — CID 120898706

IUPAC1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCOc1cc(CN(C)CC2(C)CCNC2)cc(OC)c1
InChIInChI=1S/C16H26N2O2/c1-16(5-6-17-11-16)12-18(2)10-13-7-14(19-3)9-15(8-13)20-4/h7-9,17H,5-6,10-12H2,1-4H3
InChIKeyOWAIJQSNNGNRLN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.14
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine

1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 120898706) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
PubChem CID120898706
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCOc1cc(CN(C)CC2(C)CCNC2)cc(OC)c1
InChIInChI=1S/C16H26N2O2/c1-16(5-6-17-11-16)12-18(2)10-13-7-14(19-3)9-15(8-13)20-4/h7-9,17H,5-6,10-12H2,1-4H3
InChIKeyOWAIJQSNNGNRLN-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (CID 120898706) is 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is COc1cc(CN(C)CC2(C)CCNC2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is OWAIJQSNNGNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(5-6-17-11-16)12-18(2)10-13-7-14(19-3)9-15(8-13)20-4/h7-9,17H,5-6,10-12H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 120898706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).