1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine

C16H26N2O — CID 60879861

IUPAC1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCCN2CCCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-13-10-15(12-17-3)11-14(2)16(13)19-9-8-18-6-4-5-7-18/h10-11,17H,4-9,12H2,1-3H3
InChIKeyDANPLIMHVZLARD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds6

About 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine

1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine (PubChem CID 60879861) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
PubChem CID60879861
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(C)c(OCCN2CCCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-13-10-15(12-17-3)11-14(2)16(13)19-9-8-18-6-4-5-7-18/h10-11,17H,4-9,12H2,1-3H3
InChIKeyDANPLIMHVZLARD-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine (CID 60879861) is 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine is CNCc1cc(C)c(OCCN2CCCC2)c(C)c1.
What is the InChIKey of 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
The InChIKey is DANPLIMHVZLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-10-15(12-17-3)11-14(2)16(13)19-9-8-18-6-4-5-7-18/h10-11,17H,4-9,12H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 60879861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).