[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone

C13H18N2O2 — CID 102783565

IUPAC[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(O)cc2)C1CN
InChIInChI=1S/C13H18N2O2/c1-9-6-7-15(12(9)8-14)13(17)10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8,14H2,1H3
InChIKeyQJPXQSRXNMTPGW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.20
Rot. Bonds2

About [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone

[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone (PubChem CID 102783565) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
PubChem CID102783565
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
SMILESCC1CCN(C(=O)c2ccc(O)cc2)C1CN
InChIInChI=1S/C13H18N2O2/c1-9-6-7-15(12(9)8-14)13(17)10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8,14H2,1H3
InChIKeyQJPXQSRXNMTPGW-UHFFFAOYSA-N
XLogP1.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102783511
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 102783538
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 119597061
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 102783612
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119597224
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone (CID 102783565) is [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone is CC1CCN(C(=O)c2ccc(O)cc2)C1CN.
What is the InChIKey of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is QJPXQSRXNMTPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-7-15(12(9)8-14)13(17)10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8,14H2,1H3.
What are the key properties of [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone?
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 102783565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).