1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine

C16H26N2O — CID 112678178

IUPAC1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCC(COC)C1
InChIInChI=1S/C16H26N2O/c1-4-15(17-2)14-7-5-6-8-16(14)18-10-9-13(11-18)12-19-3/h5-8,13,15,17H,4,9-12H2,1-3H3
InChIKeyHCNUHRQRUWNBPA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine

1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine (PubChem CID 112678178) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
PubChem CID112678178
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCC(COC)C1
InChIInChI=1S/C16H26N2O/c1-4-15(17-2)14-7-5-6-8-16(14)18-10-9-13(11-18)12-19-3/h5-8,13,15,17H,4,9-12H2,1-3H3
InChIKeyHCNUHRQRUWNBPA-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine (CID 112678178) is 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1N1CCC(COC)C1.
What is the InChIKey of 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine?
The InChIKey is HCNUHRQRUWNBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-15(17-2)14-7-5-6-8-16(14)18-10-9-13(11-18)12-19-3/h5-8,13,15,17H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine?
1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 112678178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).