(2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine

C17H20N2O — CID 69325142

IUPAC(2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine
SMILESCN(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C17H20N2O/c1-19(17-8-5-13-18-17)14-9-11-16(12-10-14)20-15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3/t17-/m1/s1
InChIKeyYSMRRZLVPAOJTD-QGZVFWFLSA-N
MW268.36 g/mol
LogP3.62
Rot. Bonds4

About (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine

(2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine (PubChem CID 69325142) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine.

Molecular Properties

Compound Name(2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine
PubChem CID69325142
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine
SMILESCN(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN1
InChIInChI=1S/C17H20N2O/c1-19(17-8-5-13-18-17)14-9-11-16(12-10-14)20-15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3/t17-/m1/s1
InChIKeyYSMRRZLVPAOJTD-QGZVFWFLSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine?
The IUPAC name of (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine (CID 69325142) is (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine.
What is the SMILES notation for (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine?
The canonical SMILES for (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine is CN(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN1.
What is the InChIKey of (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine?
The InChIKey is YSMRRZLVPAOJTD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(17-8-5-13-18-17)14-9-11-16(12-10-14)20-15-6-3-2-4-7-15/h2-4,6-7,9-12,17-18H,5,8,13H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine?
(2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-(4-phenoxyphenyl)pyrrolidin-2-amine is sourced from PubChem (CID 69325142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).