6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine

C13H17NO — CID 19845341

IUPAC6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine
SMILESCC1Cc2cc3c(cc2CC1N)OCC3
InChIInChI=1S/C13H17NO/c1-8-4-10-5-9-2-3-15-13(9)7-11(10)6-12(8)14/h5,7-8,12H,2-4,6,14H2,1H3
InChIKeyNVLFRHXSTKFMRX-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.68
Rot. Bonds

About 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine

6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine (PubChem CID 19845341) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine.

Molecular Properties

Compound Name6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine
PubChem CID19845341
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine
SMILESCC1Cc2cc3c(cc2CC1N)OCC3
InChIInChI=1S/C13H17NO/c1-8-4-10-5-9-2-3-15-13(9)7-11(10)6-12(8)14/h5,7-8,12H,2-4,6,14H2,1H3
InChIKeyNVLFRHXSTKFMRX-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine with MolForge

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Related Compounds

6-methoxy-2,3,5,6-tetrahydrofuro[3,2-g]chromen-7-one
CID 57109918
8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
CID 83376428
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine
CID 145375645
2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
CID 115862636
3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine
CID 61027220
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
CID 129493232
2-(2,3-dihydro-1-benzofuran-6-ylmethyl)cyclopentan-1-amine
CID 82393396
4-chloro-N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)butanamide
CID 19838455
2-(2,3-dihydro-1-benzofuran-5-yl)guanidine
CID 82648102

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine?
The IUPAC name of 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine (CID 19845341) is 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine.
What is the SMILES notation for 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine?
The canonical SMILES for 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine is CC1Cc2cc3c(cc2CC1N)OCC3.
What is the InChIKey of 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine?
The InChIKey is NVLFRHXSTKFMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-4-10-5-9-2-3-15-13(9)7-11(10)6-12(8)14/h5,7-8,12H,2-4,6,14H2,1H3.
What are the key properties of 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine?
6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine has a molecular weight of 203.28 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine is sourced from PubChem (CID 19845341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).