2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

C15H24N2 — CID 139829326

IUPAC2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCc1cccc(CCNCC2CCCN2C)c1
InChIInChI=1S/C15H24N2/c1-13-5-3-6-14(11-13)8-9-16-12-15-7-4-10-17(15)2/h3,5-6,11,15-16H,4,7-10,12H2,1-2H3
InChIKeyRWCBOKBIWNXJID-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.22
Rot. Bonds5

About 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 139829326) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID139829326
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCc1cccc(CCNCC2CCCN2C)c1
InChIInChI=1S/C15H24N2/c1-13-5-3-6-14(11-13)8-9-16-12-15-7-4-10-17(15)2/h3,5-6,11,15-16H,4,7-10,12H2,1-2H3
InChIKeyRWCBOKBIWNXJID-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277
2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62582192
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 62654861
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 113227158
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062661
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962534
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62314981
N-[(2-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103844959
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
CID 131942484

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (CID 139829326) is 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is Cc1cccc(CCNCC2CCCN2C)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is RWCBOKBIWNXJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-5-3-6-14(11-13)8-9-16-12-15-7-4-10-17(15)2/h3,5-6,11,15-16H,4,7-10,12H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 139829326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).