[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone

C20H24N2O2 — CID 110006598

IUPAC[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1c(NCc2ccc(CO)cc2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C20H24N2O2/c1-15-18(20(24)22-11-2-3-12-22)5-4-6-19(15)21-13-16-7-9-17(14-23)10-8-16/h4-10,21,23H,2-3,11-14H2,1H3
InChIKeyOLRUAPXFMZFNIA-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.34
Rot. Bonds5

About [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone

[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 110006598) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone
PubChem CID110006598
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone
SMILESCc1c(NCc2ccc(CO)cc2)cccc1C(=O)N1CCCC1
InChIInChI=1S/C20H24N2O2/c1-15-18(20(24)22-11-2-3-12-22)5-4-6-19(15)21-13-16-7-9-17(14-23)10-8-16/h4-10,21,23H,2-3,11-14H2,1H3
InChIKeyOLRUAPXFMZFNIA-UHFFFAOYSA-N
XLogP3.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
3-[(4-fluorophenyl)methylamino]-2-methylbenzoic acid
CID 17058960
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 47089557
(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 97283810
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
CID 110006557
[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
CID 47622276
2-(1-hydroxycyclohexyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111332036
2-[[4-(hydroxymethyl)phenyl]methylamino]-N-propan-2-ylbenzamide
CID 110006505

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone (CID 110006598) is [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone is Cc1c(NCc2ccc(CO)cc2)cccc1C(=O)N1CCCC1.
What is the InChIKey of [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is OLRUAPXFMZFNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-18(20(24)22-11-2-3-12-22)5-4-6-19(15)21-13-16-7-9-17(14-23)10-8-16/h4-10,21,23H,2-3,11-14H2,1H3.
What are the key properties of [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone?
[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 324.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110006598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).