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

C14H22N2 — CID 117022670

IUPACN-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2ccccc2C)C1C
InChIInChI=1S/C14H22N2/c1-11-6-4-5-7-14(11)16-9-8-13(10-15-3)12(16)2/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyMCCUNBOLNPJDFK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.43
Rot. Bonds3

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

N-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 117022670) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID117022670
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2ccccc2C)C1C
InChIInChI=1S/C14H22N2/c1-11-6-4-5-7-14(11)16-9-8-13(10-15-3)12(16)2/h4-7,12-13,15H,8-10H2,1-3H3
InChIKeyMCCUNBOLNPJDFK-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

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Related Compounds

1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 117022687
N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 117022672
N-methyl-1-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanamine
CID 94558305
(2S)-1,2-dimethyl-3-(2-methylphenyl)imidazolidine
CID 121449628
1-(2-methylphenyl)azetidine-2-carboxylate
CID 170453397
(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine
CID 162706210
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023339
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454239
4-(2-bromophenyl)-7-methyl-3-(methylaminomethyl)-1,4-diazepan-2-one
CID 84607037
(4S)-1-cyclopentyl-2-deuterio-4,5-dimethyl-3-(2-methylphenyl)imidazolidine
CID 162706573

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine (CID 117022670) is N-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine is CNCC1CCN(c2ccccc2C)C1C.
What is the InChIKey of N-methyl-1-[2-methyl-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is MCCUNBOLNPJDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-6-4-5-7-14(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-(2-methylphenyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[2-methyl-1-(2-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-(2-methylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117022670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).