1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine

C14H18ClNO2 — CID 115010145

IUPAC1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine
SMILESCNCc1c2c(c(Cl)c3c1OCCC3)OCCC2
InChIInChI=1S/C14H18ClNO2/c1-16-8-11-9-4-2-7-18-14(9)12(15)10-5-3-6-17-13(10)11/h16H,2-8H2,1H3
InChIKeyVQNZDMOTWMDJEY-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.71
Rot. Bonds2

About 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine

1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine (PubChem CID 115010145) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine
PubChem CID115010145
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine
SMILESCNCc1c2c(c(Cl)c3c1OCCC3)OCCC2
InChIInChI=1S/C14H18ClNO2/c1-16-8-11-9-4-2-7-18-14(9)12(15)10-5-3-6-17-13(10)11/h16H,2-8H2,1H3
InChIKeyVQNZDMOTWMDJEY-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine with MolForge

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Related Compounds

3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propanoic acid
CID 115010184
(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)methanethiol
CID 116986482
2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol
CID 117454568
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine
CID 115010670
2-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine
CID 115010668
3-amino-2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propanoic acid
CID 117496459
1-(8-chloro-5-methyl-3,4-dihydro-2H-chromen-6-yl)ethanol
CID 84690833
(5-methoxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)methanol
CID 117378871
2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetonitrile
CID 117492995
5-chloro-6-methyl-3,4-dihydro-2H-chromene;propane
CID 143804461
3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine
CID 115010130
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)-2-(methylamino)ethanol
CID 117413072

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine (CID 115010145) is 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine is CNCc1c2c(c(Cl)c3c1OCCC3)OCCC2.
What is the InChIKey of 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine?
The InChIKey is VQNZDMOTWMDJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-16-8-11-9-4-2-7-18-14(9)12(15)10-5-3-6-17-13(10)11/h16H,2-8H2,1H3.
What are the key properties of 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine?
1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine has a molecular weight of 267.76 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)-N-methylmethanamine is sourced from PubChem (CID 115010145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).