N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine

C17H20N2O — CID 43315199

IUPACN-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
SMILESCNC1CCN(c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C17H20N2O/c1-18-14-11-12-19(13-14)16-9-5-6-10-17(16)20-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3
InChIKeyCTUCYEAENLKVTF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds4

About N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine

N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine (PubChem CID 43315199) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
PubChem CID43315199
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
SMILESCNC1CCN(c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C17H20N2O/c1-18-14-11-12-19(13-14)16-9-5-6-10-17(16)20-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3
InChIKeyCTUCYEAENLKVTF-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine (CID 43315199) is N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine is CNC1CCN(c2ccccc2Oc2ccccc2)C1.
What is the InChIKey of N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine?
The InChIKey is CTUCYEAENLKVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18-14-11-12-19(13-14)16-9-5-6-10-17(16)20-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3.
What are the key properties of N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine?
N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 43315199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).