[5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C16H25FN2O2 — CID 117477745

IUPAC[5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c(C)c(C2CC(CN)CN2C)c(OC)c(C)c1F
InChIInChI=1S/C16H25FN2O2/c1-9-13(12-6-11(7-18)8-19(12)3)15(20-4)10(2)14(17)16(9)21-5/h11-12H,6-8,18H2,1-5H3
InChIKeyUYQZDFWQPGJJAO-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.41
Rot. Bonds4

About [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117477745) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117477745
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name[5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c(C)c(C2CC(CN)CN2C)c(OC)c(C)c1F
InChIInChI=1S/C16H25FN2O2/c1-9-13(12-6-11(7-18)8-19(12)3)15(20-4)10(2)14(17)16(9)21-5/h11-12H,6-8,18H2,1-5H3
InChIKeyUYQZDFWQPGJJAO-UHFFFAOYSA-N
XLogP2.41
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117462547
[1-methyl-5-(2,4,5-trifluoro-3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117117215
[5-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117454718
[5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117481351
[5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117487608
[5-(2,3-dimethoxy-6-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117415862
4-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chloro-2-fluoro-3-methoxyphenol
CID 117466485
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,4-difluoro-5-methoxyphenol
CID 117433437
[5-(2,3-difluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117394097
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-4-fluoro-5-methoxybenzene-1,2-diol
CID 117429040
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117424729
[5-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117489756

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117477745) is [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1c(C)c(C2CC(CN)CN2C)c(OC)c(C)c1F.
What is the InChIKey of [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is UYQZDFWQPGJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-9-13(12-6-11(7-18)8-19(12)3)15(20-4)10(2)14(17)16(9)21-5/h11-12H,6-8,18H2,1-5H3.
What are the key properties of [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 296.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117477745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).