N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine

C13H20N2 — CID 116950968

IUPACN-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1cccc(C)c1)C1CCCN1
InChIInChI=1S/C13H20N2/c1-10-5-3-6-11(9-10)13(14-2)12-7-4-8-15-12/h3,5-6,9,12-15H,4,7-8H2,1-2H3
InChIKeyDJCNQFIGGRTPTI-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine

N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine (PubChem CID 116950968) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
PubChem CID116950968
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1cccc(C)c1)C1CCCN1
InChIInChI=1S/C13H20N2/c1-10-5-3-6-11(9-10)13(14-2)12-7-4-8-15-12/h3,5-6,9,12-15H,4,7-8H2,1-2H3
InChIKeyDJCNQFIGGRTPTI-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
1-(2-bromophenyl)-3-[(3-methylphenyl)-[(2R)-pyrrolidin-2-yl]methyl]urea
CID 90860197
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950906
N-methyl-1-(2-methylcyclopropyl)-1-(3-methylphenyl)methanamine
CID 65422773
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950939
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
N-methyl-1-(3-methylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105090899
2-(3-methylphenyl)-2-piperidin-2-ylethanol
CID 162723258

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine (CID 116950968) is N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine is CNC(c1cccc(C)c1)C1CCCN1.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine?
The InChIKey is DJCNQFIGGRTPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-5-3-6-11(9-10)13(14-2)12-7-4-8-15-12/h3,5-6,9,12-15H,4,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine?
N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 116950968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).