N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine

C18H20N2O — CID 115300061

IUPACN-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine
SMILESCNC1CCN(C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C18H20N2O/c1-19-13-10-11-20(12-13)18-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)18/h2-9,13,18-19H,10-12H2,1H3
InChIKeyQQCCCRKCMNWVNR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.18
Rot. Bonds2

About N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine

N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine (PubChem CID 115300061) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine
PubChem CID115300061
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine
SMILESCNC1CCN(C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C18H20N2O/c1-19-13-10-11-20(12-13)18-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)18/h2-9,13,18-19H,10-12H2,1H3
InChIKeyQQCCCRKCMNWVNR-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine
CID 21482881
1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
CID 21482845
1-(9H-xanthen-9-yl)azetidine-3-carboxylic acid
CID 65071597
N-methyl-1-(2-phenylcyclohexyl)pyrrolidin-3-amine
CID 105402237
1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 21482885
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpyrrolidin-3-amine
CID 81494069
N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine
CID 115299892
1-[1-(9H-fluoren-9-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263215
N-methyl-1-[9-(trifluoromethyl)-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]azetidin-3-amine
CID 70621386
1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine
CID 15723913
1-methyl-4-(9H-xanthen-9-yl)piperidine
CID 14175797
N-methyl-3-(4-propan-2-ylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103495167

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine (CID 115300061) is N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine is CNC1CCN(C2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine?
The InChIKey is QQCCCRKCMNWVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-13-10-11-20(12-13)18-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)18/h2-9,13,18-19H,10-12H2,1H3.
What are the key properties of N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine?
N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine has a molecular weight of 280.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115300061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).