1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine

C16H26N2O — CID 55161171

IUPAC1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCN1CCCC1(C)C
InChIInChI=1S/C16H26N2O/c1-16(2)9-6-10-18(16)11-12-19-15-8-5-4-7-14(15)13-17-3/h4-5,7-8,17H,6,9-13H2,1-3H3
InChIKeyHWLFKHHDDAOFTD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 55161171) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID55161171
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCN1CCCC1(C)C
InChIInChI=1S/C16H26N2O/c1-16(2)9-6-10-18(16)11-12-19-15-8-5-4-7-14(15)13-17-3/h4-5,7-8,17H,6,9-13H2,1-3H3
InChIKeyHWLFKHHDDAOFTD-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-hydroxyethoxy)phenyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide
CID 111459270
1-[2-(2-bromophenoxy)ethyl]-2,2,3,3-tetramethylpiperidine
CID 67215099
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
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N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
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1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
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1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62449080
1-[3-[(2,2-dimethylpyrrolidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 63219760
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62462753
N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 62444128
1-[2-(2-methoxyphenoxy)ethyl]-2,2,6,6-tetramethylpiperidine
CID 141005343
1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60883395

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 55161171) is 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCCN1CCCC1(C)C.
What is the InChIKey of 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is HWLFKHHDDAOFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2)9-6-10-18(16)11-12-19-15-8-5-4-7-14(15)13-17-3/h4-5,7-8,17H,6,9-13H2,1-3H3.
What are the key properties of 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 55161171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).