[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C13H18N2O2 — CID 28706937

IUPAC[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@H]1CN
InChIInChI=1S/C13H18N2O2/c1-17-12-7-3-2-6-11(12)13(16)15-8-4-5-10(15)9-14/h2-3,6-7,10H,4-5,8-9,14H2,1H3/t10-/m0/s1
InChIKeyIFJNUAHLRJDTEC-JTQLQIEISA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds3

About [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 28706937) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID28706937
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@H]1CN
InChIInChI=1S/C13H18N2O2/c1-17-12-7-3-2-6-11(12)13(16)15-8-4-5-10(15)9-14/h2-3,6-7,10H,4-5,8-9,14H2,1H3/t10-/m0/s1
InChIKeyIFJNUAHLRJDTEC-JTQLQIEISA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63754345
(2-methoxyphenyl)-[2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 20623537
(2-methoxyphenyl)-[(2R)-2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 59949488
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
CID 119630835
[2-(aminomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 119467572
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119631433
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylphenyl)methanone
CID 134408479

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 28706937) is [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC[C@H]1CN.
What is the InChIKey of [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is IFJNUAHLRJDTEC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-7-3-2-6-11(12)13(16)15-8-4-5-10(15)9-14/h2-3,6-7,10H,4-5,8-9,14H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 28706937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).