1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine

C9H14FN — CID 144911911

IUPAC1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=CCCC(C)=C1F
InChIInChI=1S/C9H14FN/c1-7-4-3-5-8(6-11-2)9(7)10/h5,11H,3-4,6H2,1-2H3
InChIKeyOCCKHRCAZIDMJP-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.17
Rot. Bonds2

About 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine

1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine (PubChem CID 144911911) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine
PubChem CID144911911
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine
SMILESCNCC1=CCCC(C)=C1F
InChIInChI=1S/C9H14FN/c1-7-4-3-5-8(6-11-2)9(7)10/h5,11H,3-4,6H2,1-2H3
InChIKeyOCCKHRCAZIDMJP-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine (CID 144911911) is 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine is CNCC1=CCCC(C)=C1F.
What is the InChIKey of 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
The InChIKey is OCCKHRCAZIDMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-7-4-3-5-8(6-11-2)9(7)10/h5,11H,3-4,6H2,1-2H3.
What are the key properties of 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine?
1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine has a molecular weight of 155.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 144911911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).