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

C14H22N2O2 — CID 115118851

IUPACN-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(CNC2CCNC2)c(OC)c1C
InChIInChI=1S/C14H22N2O2/c1-10-13(17-2)5-4-11(14(10)18-3)8-16-12-6-7-15-9-12/h4-5,12,15-16H,6-9H2,1-3H3
InChIKeyKGIMXUGISBUAAJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.46
Rot. Bonds5

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

N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 115118851) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
PubChem CID115118851
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(CNC2CCNC2)c(OC)c1C
InChIInChI=1S/C14H22N2O2/c1-10-13(17-2)5-4-11(14(10)18-3)8-16-12-6-7-15-9-12/h4-5,12,15-16H,6-9H2,1-3H3
InChIKeyKGIMXUGISBUAAJ-UHFFFAOYSA-N
XLogP1.46
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-pyrrolidin-3-ylpiperazine
CID 74245091
(1R,2S,3R)-3-[(2,4-dimethoxy-3-methylphenyl)methylamino]cyclopentane-1,2-diol
CID 155497026
N-[(2,4-dimethoxy-3-methylphenyl)methyl]cyclohexanamine;oxalic acid
CID 2849724
N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464
N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 115118890
N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine
CID 97179137
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115118996
2-N-[4-methoxy-3-[[[(3R)-pyrrolidin-3-yl]amino]methyl]phenyl]-4-N,6-dimethylpyridine-2,4-diamine
CID 156546026
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861
2-[(2,4-dimethoxy-3-methylphenyl)methylamino]acetonitrile
CID 115131002
N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119069

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine (CID 115118851) is N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine is COc1ccc(CNC2CCNC2)c(OC)c1C.
What is the InChIKey of N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is KGIMXUGISBUAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-13(17-2)5-4-11(14(10)18-3)8-16-12-6-7-15-9-12/h4-5,12,15-16H,6-9H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine?
N-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 250.34 g/mol, XLogP of 1.46, 5 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]pyrrolidin-3-amine is sourced from PubChem (CID 115118851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).