1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine

C16H26N2O — CID 63219760

IUPAC1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(CN2CCCC2(C)C)c1
InChIInChI=1S/C16H26N2O/c1-16(2)8-5-9-18(16)12-14-10-13(11-17-3)6-7-15(14)19-4/h6-7,10,17H,5,8-9,11-12H2,1-4H3
InChIKeyAAYMHLAODPQBSA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.79
Rot. Bonds5

About 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine

1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine (PubChem CID 63219760) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
PubChem CID63219760
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(CN2CCCC2(C)C)c1
InChIInChI=1S/C16H26N2O/c1-16(2)8-5-9-18(16)12-14-10-13(11-17-3)6-7-15(14)19-4/h6-7,10,17H,5,8-9,11-12H2,1-4H3
InChIKeyAAYMHLAODPQBSA-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]methyl]propan-1-amine
CID 63219762
1-[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 63160456
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 65320691
1-[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]-N-methylmethanamine
CID 62988832
1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 83053445
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcyclohexanamine
CID 62017781
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylcycloheptanamine
CID 62018728
N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 62018739
1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 55161171
(2R)-1-(azepan-1-yl)-3-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]propan-2-ol
CID 97280602
1-cyclopropyl-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylmethanamine
CID 62017230
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine (CID 63219760) is 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine is CNCc1ccc(OC)c(CN2CCCC2(C)C)c1.
What is the InChIKey of 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine?
The InChIKey is AAYMHLAODPQBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2)8-5-9-18(16)12-14-10-13(11-17-3)6-7-15(14)19-4/h6-7,10,17H,5,8-9,11-12H2,1-4H3.
What are the key properties of 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine?
1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 63219760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).