[5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine

C15H22N2O — CID 117368584

IUPAC[5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc2c(c1)CCOC2
InChIInChI=1S/C15H22N2O/c1-17-9-11(8-16)6-15(17)13-2-3-14-10-18-5-4-12(14)7-13/h2-3,7,11,15H,4-6,8-10,16H2,1H3
InChIKeyRTOKXRRNHIEPPR-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.71
Rot. Bonds2

About [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117368584) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117368584
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc2c(c1)CCOC2
InChIInChI=1S/C15H22N2O/c1-17-9-11(8-16)6-15(17)13-2-3-14-10-18-5-4-12(14)7-13/h2-3,7,11,15H,4-6,8-10,16H2,1H3
InChIKeyRTOKXRRNHIEPPR-UHFFFAOYSA-N
XLogP1.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
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[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
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[5-(1,3-benzoxathiol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117379769
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
[1-methyl-5-[4-(oxetan-3-ylsulfanyl)phenyl]pyrrolidin-3-yl]methanamine
CID 117446773
[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
CID 117431684
(1-methyl-5-spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-ylpyrrolidin-3-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117368584) is [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccc2c(c1)CCOC2.
What is the InChIKey of [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is RTOKXRRNHIEPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17-9-11(8-16)6-15(17)13-2-3-14-10-18-5-4-12(14)7-13/h2-3,7,11,15H,4-6,8-10,16H2,1H3.
What are the key properties of [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dihydro-1H-isochromen-6-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117368584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).