[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C14H22N2O — CID 117341079

IUPAC[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cccc(C2CC(CN)CN2C)c1C
InChIInChI=1S/C14H22N2O/c1-10-12(5-4-6-14(10)17-3)13-7-11(8-15)9-16(13)2/h4-6,11,13H,7-9,15H2,1-3H3
InChIKeyCNNNVKLMMMSMTD-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.96
Rot. Bonds3

About [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117341079) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117341079
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cccc(C2CC(CN)CN2C)c1C
InChIInChI=1S/C14H22N2O/c1-10-12(5-4-6-14(10)17-3)13-7-11(8-15)9-16(13)2/h4-6,11,13H,7-9,15H2,1-3H3
InChIKeyCNNNVKLMMMSMTD-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-methoxy-2-propan-2-yloxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117446721
[5-(3,5-dimethoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415847
[1-methyl-5-(2,3,4-trimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117450281
[5-(2-cyclopentyloxy-3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489816
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
[5-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438845
6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,3-dimethoxyphenol
CID 117420119
[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117420365
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
[5-(2-methoxynaphthalen-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117429310
[5-(7-methoxy-1H-indol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117402429

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117341079) is [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1cccc(C2CC(CN)CN2C)c1C.
What is the InChIKey of [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is CNNNVKLMMMSMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-12(5-4-6-14(10)17-3)13-7-11(8-15)9-16(13)2/h4-6,11,13H,7-9,15H2,1-3H3.
What are the key properties of [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117341079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).