6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine

C14H19NO — CID 155464717

IUPAC6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine
SMILESCc1ccc2c(c1)OC1CCCCC1C2N
InChIInChI=1S/C14H19NO/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15/h6-8,10,12,14H,2-5,15H2,1H3
InChIKeyQKTXXKXJYDSCCN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.95
Rot. Bonds

About 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine

6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine (PubChem CID 155464717) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine.

Molecular Properties

Compound Name6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine
PubChem CID155464717
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine
SMILESCc1ccc2c(c1)OC1CCCCC1C2N
InChIInChI=1S/C14H19NO/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15/h6-8,10,12,14H,2-5,15H2,1H3
InChIKeyQKTXXKXJYDSCCN-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-6,7,8,9,10,11,12,13,14,15,15a,16-dodecahydro-5aH-cyclododeca[b][1,4]benzoxazine
CID 115825557
6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709605
6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709586
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
CID 13013063
(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946305
1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole
CID 84733856
8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82410402
(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 42220633
5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;ethane
CID 143826176
1-(2,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83907388
1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 84717004

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine?
The IUPAC name of 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine (CID 155464717) is 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine.
What is the SMILES notation for 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine?
The canonical SMILES for 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine is Cc1ccc2c(c1)OC1CCCCC1C2N.
What is the InChIKey of 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine?
The InChIKey is QKTXXKXJYDSCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14(11)15/h6-8,10,12,14H,2-5,15H2,1H3.
What are the key properties of 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine?
6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine has a molecular weight of 217.31 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-amine is sourced from PubChem (CID 155464717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).