(3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone

C17H24N2O2 — CID 103575804

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
SMILESCC1CN(C(=O)C2CCCOC2c2ccccc2)CC1N
InChIInChI=1S/C17H24N2O2/c1-12-10-19(11-15(12)18)17(20)14-8-5-9-21-16(14)13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11,18H2,1H3
InChIKeyFSIYCQGQRHJUNY-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.96
Rot. Bonds2

About (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone (PubChem CID 103575804) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
PubChem CID103575804
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
SMILESCC1CN(C(=O)C2CCCOC2c2ccccc2)CC1N
InChIInChI=1S/C17H24N2O2/c1-12-10-19(11-15(12)18)17(20)14-8-5-9-21-16(14)13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11,18H2,1H3
InChIKeyFSIYCQGQRHJUNY-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminopyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 62068728
(3S,4S)-4-methyl-1-[2-(4-methylphenyl)oxane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120951929
(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 56816540
(2-phenyloxan-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119401034
2-[4-[(2R,3S)-2-phenyloxane-3-carbonyl]piperazin-1-yl]acetamide
CID 94463077
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 120747151
1-[(2R,3R)-2-(4-methylphenyl)oxane-3-carbonyl]piperidine-4-carboxylic acid
CID 125153754
[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
CID 125146424
(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 103575844
1-[(2S,3S)-2-phenyloxane-3-carbonyl]-1,4-diazepan-5-one
CID 95589815
[2-(4-methylphenyl)oxan-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119577255
(2R,3S)-2-phenyloxan-3-amine
CID 131044940

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone (CID 103575804) is (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone is CC1CN(C(=O)C2CCCOC2c2ccccc2)CC1N.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone?
The InChIKey is FSIYCQGQRHJUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-10-19(11-15(12)18)17(20)14-8-5-9-21-16(14)13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11,18H2,1H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone is sourced from PubChem (CID 103575804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).