[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone

C14H20N2O — CID 119345177

IUPAC[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)N1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O/c1-10-3-4-11(2)16(10)14(17)13-7-5-12(9-15)6-8-13/h5-8,10-11H,3-4,9,15H2,1-2H3
InChIKeyLMCHJEZUZGQDDZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.16
Rot. Bonds2

About [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone

[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone (PubChem CID 119345177) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
PubChem CID119345177
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)N1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O/c1-10-3-4-11(2)16(10)14(17)13-7-5-12(9-15)6-8-13/h5-8,10-11H,3-4,9,15H2,1-2H3
InChIKeyLMCHJEZUZGQDDZ-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6932219
[4-(aminomethyl)phenyl]-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328198
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 30115915
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591
[4-(3-aminoprop-1-ynyl)phenyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968290
1-[4-(aminomethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068830
[4-(aminomethyl)phenyl]-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 141381510
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
[4-(aminomethyl)phenyl]-[(2S,4R)-4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]methanone
CID 124693508

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone (CID 119345177) is [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone is CC1CCC(C)N1C(=O)c1ccc(CN)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is LMCHJEZUZGQDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-3-4-11(2)16(10)14(17)13-7-5-12(9-15)6-8-13/h5-8,10-11H,3-4,9,15H2,1-2H3.
What are the key properties of [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone?
[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 119345177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).