2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol

C12H17ClN2O — CID 117354250

IUPAC2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
SMILESCN1CC(CN)CC1c1cccc(Cl)c1O
InChIInChI=1S/C12H17ClN2O/c1-15-7-8(6-14)5-11(15)9-3-2-4-10(13)12(9)16/h2-4,8,11,16H,5-7,14H2,1H3
InChIKeyHPWPEBBQQJLGPY-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.00
Rot. Bonds2

About 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol

2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol (PubChem CID 117354250) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
PubChem CID117354250
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
SMILESCN1CC(CN)CC1c1cccc(Cl)c1O
InChIInChI=1S/C12H17ClN2O/c1-15-7-8(6-14)5-11(15)9-3-2-4-10(13)12(9)16/h2-4,8,11,16H,5-7,14H2,1H3
InChIKeyHPWPEBBQQJLGPY-UHFFFAOYSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chloro-4-methoxyphenol
CID 117430067
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-difluorophenol
CID 117357612
[5-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117475479
[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117349921
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117405533
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
CID 117420119
[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117425636
[5-(2-chloro-6-methylsulfonylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117487635
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
[5-(5-chloro-2,4-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117406206
[5-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117454617
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chloro-2-fluoro-3-methoxyphenol
CID 117466485

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol?
The IUPAC name of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol (CID 117354250) is 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol.
What is the SMILES notation for 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol?
The canonical SMILES for 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol is CN1CC(CN)CC1c1cccc(Cl)c1O.
What is the InChIKey of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol?
The InChIKey is HPWPEBBQQJLGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15-7-8(6-14)5-11(15)9-3-2-4-10(13)12(9)16/h2-4,8,11,16H,5-7,14H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol?
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol has a molecular weight of 240.73 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol is sourced from PubChem (CID 117354250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).