N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

C15H24N2O — CID 115208286

IUPACN-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCOc1cc(C)cc(C)c1CNCC1CCCN1
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(15(8-11)18-3)10-16-9-13-5-4-6-17-13/h7-8,13,16-17H,4-6,9-10H2,1-3H3
InChIKeyFQCNKVYOBNGCLS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds5

About N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine

N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (PubChem CID 115208286) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
PubChem CID115208286
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
SMILESCOc1cc(C)cc(C)c1CNCC1CCCN1
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(15(8-11)18-3)10-16-9-13-5-4-6-17-13/h7-8,13,16-17H,4-6,9-10H2,1-3H3
InChIKeyFQCNKVYOBNGCLS-UHFFFAOYSA-N
XLogP2.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208267
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
2-[(2-bromo-4,6-dimethylphenyl)methyl]pyrrolidine
CID 84808310
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
CID 115195883
N-[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86319081
(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine
CID 102820009
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208846
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208258

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine (CID 115208286) is N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is COc1cc(C)cc(C)c1CNCC1CCCN1.
What is the InChIKey of N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
The InChIKey is FQCNKVYOBNGCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-12(2)14(15(8-11)18-3)10-16-9-13-5-4-6-17-13/h7-8,13,16-17H,4-6,9-10H2,1-3H3.
What are the key properties of N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine?
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 115208286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).