[(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine

C9H14FN — CID 89243162

IUPAC[(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCC1C=C(C=C[C@@]1(C)CN)F
InChIInChI=1S/C9H14FN/c1-7-5-8(10)3-4-9(7,2)6-11/h3-5,7H,6,11H2,1-2H3/t7?,9-/m0/s1
InChIKeyCIOHTDIDXPHTSC-NETXQHHPSA-N
MW155.21 g/mol
LogP1.70
Rot. Bonds1

About [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine

[(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 89243162) has the molecular formula C9H14FN and a molecular weight of 155.21 g/mol. Its IUPAC name is [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine
PubChem CID89243162
Molecular FormulaC9H14FN
Molecular Weight155.21 g/mol
Exact Mass155.11
IUPAC Name[(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine
SMILESCC1C=C(C=C[C@@]1(C)CN)F
InChIInChI=1S/C9H14FN/c1-7-5-8(10)3-4-9(7,2)6-11/h3-5,7H,6,11H2,1-2H3/t7?,9-/m0/s1
InChIKeyCIOHTDIDXPHTSC-NETXQHHPSA-N
XLogP1.70
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity208

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine (CID 89243162) is [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine is CC1C=C(C=C[C@@]1(C)CN)F.
What is the InChIKey of [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is CIOHTDIDXPHTSC-NETXQHHPSA-N. The full InChI is InChI=1S/C9H14FN/c1-7-5-8(10)3-4-9(7,2)6-11/h3-5,7H,6,11H2,1-2H3/t7?,9-/m0/s1.
What are the key properties of [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine?
[(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 155.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-fluoro-1,6-dimethylcyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 89243162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).