2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine

C9H12FNO — CID 134365758

IUPAC2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
SMILESCNC1=C(F)CC=CC(OC)=C1
InChIInChI=1S/C9H12FNO/c1-11-9-6-7(12-2)4-3-5-8(9)10/h3-4,6,11H,5H2,1-2H3
InChIKeyBTYYVVZIQRRYLS-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.88
Rot. Bonds2

About 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine

2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine (PubChem CID 134365758) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
PubChem CID134365758
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
SMILESCNC1=C(F)CC=CC(OC)=C1
InChIInChI=1S/C9H12FNO/c1-11-9-6-7(12-2)4-3-5-8(9)10/h3-4,6,11H,5H2,1-2H3
InChIKeyBTYYVVZIQRRYLS-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(7E)-8-fluoro-9-methoxy-N-methyldeca-1,2,4,7-tetraen-4-amine
CID 134286841
5-(difluoromethoxy)-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365783
4-fluoro-3-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142969724
(3E,5E)-4-fluoro-5-methoxy-N-methylhepta-1,3,5-trien-2-amine
CID 143206210
(3E)-4-fluoro-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143206346
(3E)-5-fluoro-4-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143206396
5-(Difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine
CID 171833064
(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine
CID 143062489
6-methoxy-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
CID 89983569
(3Z)-5-methoxy-N-methylhexa-3,5-dien-2-amine
CID 132001282
2-chloro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365721
2-ethoxy-N-methylcyclopenta-1,3-dien-1-amine
CID 140101346

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine (CID 134365758) is 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine is CNC1=C(F)CC=CC(OC)=C1.
What is the InChIKey of 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is BTYYVVZIQRRYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-11-9-6-7(12-2)4-3-5-8(9)10/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine?
2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 169.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 134365758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).