1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

C14H22N2 — CID 116950884

IUPAC1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1ccc(C)cc1C)C1CCCN1
InChIInChI=1S/C14H22N2/c1-10-6-7-12(11(2)9-10)14(15-3)13-5-4-8-16-13/h6-7,9,13-16H,4-5,8H2,1-3H3
InChIKeyQCDCBEFRRNMXIA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.32
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine

1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 116950884) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID116950884
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1ccc(C)cc1C)C1CCCN1
InChIInChI=1S/C14H22N2/c1-10-6-7-12(11(2)9-10)14(15-3)13-5-4-8-16-13/h6-7,9,13-16H,4-5,8H2,1-3H3
InChIKeyQCDCBEFRRNMXIA-UHFFFAOYSA-N
XLogP2.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950946
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
1-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950924
N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950968
1-(2,4-dimethylphenyl)-N,N-dimethyl-1-pyrrolidin-2-ylmethanamine
CID 82289931
1-(5-bromo-2-methylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951206
1-(4-methoxy-2,3,5-trimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950925
2-(2,4-dimethylphenyl)-2-piperidin-2-ylethanamine
CID 83986431
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
1-(2,4-dimethylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862504
1-(2,4-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105145370

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 116950884) is 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is CNC(c1ccc(C)cc1C)C1CCCN1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is QCDCBEFRRNMXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-6-7-12(11(2)9-10)14(15-3)13-5-4-8-16-13/h6-7,9,13-16H,4-5,8H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 116950884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).