N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

C15H24N2O2 — CID 115208814

IUPACN-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCNC2)c(OC)c1C
InChIInChI=1S/C15H24N2O2/c1-11-14(18-2)5-4-13(15(11)19-3)10-17-9-12-6-7-16-8-12/h4-5,12,16-17H,6-10H2,1-3H3
InChIKeyDRFNVTSMLZUFRE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.71
Rot. Bonds6

About N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 115208814) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID115208814
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCOc1ccc(CNCC2CCNC2)c(OC)c1C
InChIInChI=1S/C15H24N2O2/c1-11-14(18-2)5-4-13(15(11)19-3)10-17-9-12-6-7-16-8-12/h4-5,12,16-17H,6-10H2,1-3H3
InChIKeyDRFNVTSMLZUFRE-UHFFFAOYSA-N
XLogP1.71
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
CID 115118851
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917076
4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208846
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-pyrrolidin-3-ylpiperazine
CID 74245091
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861
(1R,2S,3R)-3-[(2,4-dimethoxy-3-methylphenyl)methylamino]cyclopentane-1,2-diol
CID 155497026
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 115208814) is N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is COc1ccc(CNCC2CCNC2)c(OC)c1C.
What is the InChIKey of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is DRFNVTSMLZUFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-14(18-2)5-4-13(15(11)19-3)10-17-9-12-6-7-16-8-12/h4-5,12,16-17H,6-10H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 115208814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).