1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine

C16H26N2O2 — CID 64583405

IUPAC1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCN2CCC(COC)C2)c1
InChIInChI=1S/C16H26N2O2/c1-17-11-14-4-3-5-16(10-14)20-9-8-18-7-6-15(12-18)13-19-2/h3-5,10,15,17H,6-9,11-13H2,1-2H3
InChIKeyVEEXQXGXLQVZNH-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.75
Rot. Bonds8

About 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine

1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine (PubChem CID 64583405) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine
PubChem CID64583405
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCN2CCC(COC)C2)c1
InChIInChI=1S/C16H26N2O2/c1-17-11-14-4-3-5-16(10-14)20-9-8-18-7-6-15(12-18)13-19-2/h3-5,10,15,17H,6-9,11-13H2,1-2H3
InChIKeyVEEXQXGXLQVZNH-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745
1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62430706
3-[2-[4-(methoxymethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 63971546
1-[3-[2-(3-methoxy-3-methylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107395570
1-[3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62432960
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine (CID 64583405) is 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCCN2CCC(COC)C2)c1.
What is the InChIKey of 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is VEEXQXGXLQVZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-11-14-4-3-5-16(10-14)20-9-8-18-7-6-15(12-18)13-19-2/h3-5,10,15,17H,6-9,11-13H2,1-2H3.
What are the key properties of 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine?
1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 64583405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).