1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide

C14H21N3O — CID 114081807

IUPAC1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(Cc2ccccc2CN)C1
InChIInChI=1S/C14H21N3O/c1-14(13(16)18)6-7-17(10-14)9-12-5-3-2-4-11(12)8-15/h2-5H,6-10,15H2,1H3,(H2,16,18)
InChIKeyHRMJMCOGTVDIPM-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.84
Rot. Bonds4

About 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide

1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 114081807) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID114081807
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(Cc2ccccc2CN)C1
InChIInChI=1S/C14H21N3O/c1-14(13(16)18)6-7-17(10-14)9-12-5-3-2-4-11(12)8-15/h2-5H,6-10,15H2,1H3,(H2,16,18)
InChIKeyHRMJMCOGTVDIPM-UHFFFAOYSA-N
XLogP0.84
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-amino-2-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 114081797
1-[(2-bromophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147916
2-[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 113314657
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
2-[2-[(4-cyano-4-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 107160855
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
2-[4-[[(3R)-3-carbamoyl-3-methylpiperidin-1-yl]methyl]phenyl]benzoic acid
CID 125014660
[2-(2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]methanamine
CID 79677418
1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151899
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
3-ethyl-1-[(2-ethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65064228

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide (CID 114081807) is 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(Cc2ccccc2CN)C1.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is HRMJMCOGTVDIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(13(16)18)6-7-17(10-14)9-12-5-3-2-4-11(12)8-15/h2-5H,6-10,15H2,1H3,(H2,16,18).
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide?
1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114081807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).