2-(methoxymethyl)-N-phenylpyrrolidin-1-amine

C12H18N2O — CID 91183641

IUPAC2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
SMILESCOCC1CCCN1Nc1ccccc1
InChIInChI=1S/C12H18N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3
InChIKeyAPGHHHMIWWFXRN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.12
Rot. Bonds4

About 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine

2-(methoxymethyl)-N-phenylpyrrolidin-1-amine (PubChem CID 91183641) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
PubChem CID91183641
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
SMILESCOCC1CCCN1Nc1ccccc1
InChIInChI=1S/C12H18N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3
InChIKeyAPGHHHMIWWFXRN-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine?
The IUPAC name of 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine (CID 91183641) is 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine?
The canonical SMILES for 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine is COCC1CCCN1Nc1ccccc1.
What is the InChIKey of 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine?
The InChIKey is APGHHHMIWWFXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-10-12-8-5-9-14(12)13-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3.
What are the key properties of 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine?
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine has a molecular weight of 206.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-phenylpyrrolidin-1-amine is sourced from PubChem (CID 91183641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).