[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone

C20H24N2O — CID 119331242

IUPAC[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CC(C)N(C(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C20H24N2O/c1-14-5-3-4-6-19(14)18-11-15(2)22(13-18)20(23)17-9-7-16(12-21)8-10-17/h3-10,15,18H,11-13,21H2,1-2H3
InChIKeyPQYFZMUUNMMDEF-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.47
Rot. Bonds3

About [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone

[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 119331242) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID119331242
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C1CC(C)N(C(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C20H24N2O/c1-14-5-3-4-6-19(14)18-11-15(2)22(13-18)20(23)17-9-7-16(12-21)8-10-17/h3-10,15,18H,11-13,21H2,1-2H3
InChIKeyPQYFZMUUNMMDEF-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

AR-M1000390
CID 9841259
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CID 809338
(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
4-[(S)-[(2S,5R)-2,5-Dimethyl-4-(2-propenyl)-1-piperazinyl]phenylmethyl]-N,N-diethylbenzamide
CID 6604878
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
Pyrrolidine, 1-(o-benzoylbenzoyl)-
CID 208220
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
N-(3,3-diphenylpropyl)benzamide
CID 1220236
N-(4-Methylbenzoyl)-4-benzylpiperidine
CID 1415427

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone (CID 119331242) is [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccccc1C1CC(C)N(C(=O)c2ccc(CN)cc2)C1.
What is the InChIKey of [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is PQYFZMUUNMMDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-5-3-4-6-19(14)18-11-15(2)22(13-18)20(23)17-9-7-16(12-21)8-10-17/h3-10,15,18H,11-13,21H2,1-2H3.
What are the key properties of [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone?
[4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 308.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119331242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).