N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

C15H24N2O2 — CID 115208846

IUPACN-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCOc1cc(C)c(CNCC2CCNC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-11-6-13(18-2)7-15(19-3)14(11)10-17-9-12-4-5-16-8-12/h6-7,12,16-17H,4-5,8-10H2,1-3H3
InChIKeyFYJOTOSMUQNPSU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.71
Rot. Bonds6

About N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine

N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (PubChem CID 115208846) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
PubChem CID115208846
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
SMILESCOc1cc(C)c(CNCC2CCNC2)c(OC)c1
InChIInChI=1S/C15H24N2O2/c1-11-6-13(18-2)7-15(19-3)14(11)10-17-9-12-4-5-16-8-12/h6-7,12,16-17H,4-5,8-10H2,1-3H3
InChIKeyFYJOTOSMUQNPSU-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

1-(azetidin-3-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 115207558
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118959
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939
1-piperidin-4-yl-N-[(2,3,5,6-tetramethylphenyl)methyl]methanamine
CID 115209940
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928
N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
CID 115118637
N-[(2,4-dimethoxy-6-methylphenyl)methyl]carbamoyl chloride
CID 115194702
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208286

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine (CID 115208846) is N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is COc1cc(C)c(CNCC2CCNC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
The InChIKey is FYJOTOSMUQNPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-6-13(18-2)7-15(19-3)14(11)10-17-9-12-4-5-16-8-12/h6-7,12,16-17H,4-5,8-10H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine?
N-[(2,4-dimethoxy-6-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-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 115208846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).