N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine

C14H22N2 — CID 117022672

IUPACN-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2ccc(C)cc2)C1C
InChIInChI=1S/C14H22N2/c1-11-4-6-14(7-5-11)16-9-8-13(10-15-3)12(16)2/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyPUXSXUFACHKCTE-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.43
Rot. Bonds3

About N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 117022672) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID117022672
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2ccc(C)cc2)C1C
InChIInChI=1S/C14H22N2/c1-11-4-6-14(7-5-11)16-9-8-13(10-15-3)12(16)2/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyPUXSXUFACHKCTE-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine (CID 117022672) is N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(c2ccc(C)cc2)C1C.
What is the InChIKey of N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is PUXSXUFACHKCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-4-6-14(7-5-11)16-9-8-13(10-15-3)12(16)2/h4-7,12-13,15H,8-10H2,1-3H3.
What are the key properties of N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117022672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).