[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C15H23ClN2O — CID 117454718

IUPAC[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c(C)cc(Cl)c(C2CC(CN)CN2C)c1C
InChIInChI=1S/C15H23ClN2O/c1-9-5-12(16)14(10(2)15(9)19-4)13-6-11(7-17)8-18(13)3/h5,11,13H,6-8,17H2,1-4H3
InChIKeyGUZQJVSYKYNKBK-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.92
Rot. Bonds3

About [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117454718) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117454718
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c(C)cc(Cl)c(C2CC(CN)CN2C)c1C
InChIInChI=1S/C15H23ClN2O/c1-9-5-12(16)14(10(2)15(9)19-4)13-6-11(7-17)8-18(13)3/h5,11,13H,6-8,17H2,1-4H3
InChIKeyGUZQJVSYKYNKBK-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117462547
[5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117481351
[5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117487608
[5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117477745
[5-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117497798
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
[5-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117497916
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chloro-2-fluoro-3-methoxyphenol
CID 117466485
[5-(2,5-dichloro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117467090
[1-methyl-5-(2,4,5-trifluoro-3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117117215
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chloro-4-methoxyphenol
CID 117430067
[5-(2-chloro-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117349921

Frequently Asked Questions

What is the IUPAC name of [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117454718) is [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1c(C)cc(Cl)c(C2CC(CN)CN2C)c1C.
What is the InChIKey of [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is GUZQJVSYKYNKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-9-5-12(16)14(10(2)15(9)19-4)13-6-11(7-17)8-18(13)3/h5,11,13H,6-8,17H2,1-4H3.
What are the key properties of [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 282.81 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117454718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).