3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C14H19F2NO — CID 79729855

IUPAC3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC1CCc2ccc(OC(F)F)cc2C(N)C1C
InChIInChI=1S/C14H19F2NO/c1-8-3-4-10-5-6-11(18-14(15)16)7-12(10)13(17)9(8)2/h5-9,13-14H,3-4,17H2,1-2H3
InChIKeyZJIZLDNPFULHJB-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.51
Rot. Bonds2

About 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 79729855) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID79729855
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC1CCc2ccc(OC(F)F)cc2C(N)C1C
InChIInChI=1S/C14H19F2NO/c1-8-3-4-10-5-6-11(18-14(15)16)7-12(10)13(17)9(8)2/h5-9,13-14H,3-4,17H2,1-2H3
InChIKeyZJIZLDNPFULHJB-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

3-(difluoromethoxy)-N-ethyl-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79726201
9-(difluoromethoxy)-4-methyl-1-propan-2-yl-1,2,3,4,5,6-hexahydro-2-benzazocine
CID 64688197
1-tert-butyl-9-(difluoromethoxy)-4-methyl-1,2,3,4,5,6-hexahydro-2-benzazocine
CID 64688605
3-(difluoromethoxy)-7-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63822639
9-(difluoromethoxy)-4-methyl-1,2,3,4,5,6-hexahydro-3-benzazocine
CID 64686605
2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 167906269
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230789
7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247909
2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 79729855) is 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CC1CCc2ccc(OC(F)F)cc2C(N)C1C.
What is the InChIKey of 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is ZJIZLDNPFULHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-8-3-4-10-5-6-11(18-14(15)16)7-12(10)13(17)9(8)2/h5-9,13-14H,3-4,17H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 255.31 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 79729855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).