2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine

C15H24N2 — CID 115208960

IUPAC2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCc1ccc(CCNCC2CCNC2)cc1C
InChIInChI=1S/C15H24N2/c1-12-3-4-14(9-13(12)2)5-7-16-10-15-6-8-17-11-15/h3-4,9,15-17H,5-8,10-11H2,1-2H3
InChIKeyBPZZOGICUNHNBM-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.05
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine

2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine (PubChem CID 115208960) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
PubChem CID115208960
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCc1ccc(CCNCC2CCNC2)cc1C
InChIInChI=1S/C15H24N2/c1-12-3-4-14(9-13(12)2)5-7-16-10-15-6-8-17-11-15/h3-4,9,15-17H,5-8,10-11H2,1-2H3
InChIKeyBPZZOGICUNHNBM-UHFFFAOYSA-N
XLogP2.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208972
2-(3-chloro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208973
2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209022
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208978
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
4-[3-(3,4-dimethylphenyl)propyl]piperidine
CID 82289413
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115210008
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
1-(3,4-dimethylphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606064
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine (CID 115208960) is 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine is Cc1ccc(CCNCC2CCNC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
The InChIKey is BPZZOGICUNHNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-3-4-14(9-13(12)2)5-7-16-10-15-6-8-17-11-15/h3-4,9,15-17H,5-8,10-11H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine?
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115208960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).