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

C15H24N2 — CID 54927501

IUPAC1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCc1ccccc1C(C)NCC1CCN(C)C1
InChIInChI=1S/C15H24N2/c1-12-6-4-5-7-15(12)13(2)16-10-14-8-9-17(3)11-14/h4-7,13-14,16H,8-11H2,1-3H3
InChIKeyLPERBAKPRKQMBQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.60
Rot. Bonds4

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

1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 54927501) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID54927501
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCc1ccccc1C(C)NCC1CCN(C)C1
InChIInChI=1S/C15H24N2/c1-12-6-4-5-7-15(12)13(2)16-10-14-8-9-17(3)11-14/h4-7,13-14,16H,8-11H2,1-3H3
InChIKeyLPERBAKPRKQMBQ-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
CID 107411455
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
CID 107529754
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
N-[(1-methylpyrrolidin-3-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 60856073
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 81374031
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064
(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 99854313
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine (CID 54927501) is 1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is Cc1ccccc1C(C)NCC1CCN(C)C1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is LPERBAKPRKQMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-4-5-7-15(12)13(2)16-10-14-8-9-17(3)11-14/h4-7,13-14,16H,8-11H2,1-3H3.
What are the key properties of 1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine?
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 54927501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).