[4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone

C20H24N2O — CID 142916113

IUPAC[4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(CN)c(-c2ccc(C(=O)N3CCCC3)cc2C)c1
InChIInChI=1S/C20H24N2O/c1-14-5-6-17(13-21)19(11-14)18-8-7-16(12-15(18)2)20(23)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13,21H2,1-2H3
InChIKeyVDXUXFCVMWRXGE-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.67
Rot. Bonds3

About [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone

[4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 142916113) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone
PubChem CID142916113
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(CN)c(-c2ccc(C(=O)N3CCCC3)cc2C)c1
InChIInChI=1S/C20H24N2O/c1-14-5-6-17(13-21)19(11-14)18-8-7-16(12-15(18)2)20(23)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13,21H2,1-2H3
InChIKeyVDXUXFCVMWRXGE-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone (CID 142916113) is [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone is Cc1ccc(CN)c(-c2ccc(C(=O)N3CCCC3)cc2C)c1.
What is the InChIKey of [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VDXUXFCVMWRXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-5-6-17(13-21)19(11-14)18-8-7-16(12-15(18)2)20(23)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10,13,21H2,1-2H3.
What are the key properties of [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone?
[4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 308.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-5-methylphenyl]-3-methylphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142916113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).