(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine

C12H18N2O — CID 11009092

IUPAC(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine
SMILESNN1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C12H18N2O/c13-14-8-4-7-12(14)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2/t12-/m0/s1
InChIKeyCDGZRHATABLGOH-LBPRGKRZSA-N
MW206.29 g/mol
LogP1.54
Rot. Bonds4

About (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine

(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine (PubChem CID 11009092) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine
PubChem CID11009092
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine
SMILESNN1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C12H18N2O/c13-14-8-4-7-12(14)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2/t12-/m0/s1
InChIKeyCDGZRHATABLGOH-LBPRGKRZSA-N
XLogP1.54
TPSA38.49 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine?
The IUPAC name of (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine (CID 11009092) is (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine is NN1CCC[C@H]1COCc1ccccc1.
What is the InChIKey of (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine?
The InChIKey is CDGZRHATABLGOH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O/c13-14-8-4-7-12(14)10-15-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2/t12-/m0/s1.
What are the key properties of (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine?
(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenylmethoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 11009092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).