N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine

C11H18FN — CID 167018962

IUPACN-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1C=CC(F)=CC1
InChIInChI=1S/C11H18FN/c1-9(2)13(3)8-10-4-6-11(12)7-5-10/h4,6-7,9-10H,5,8H2,1-3H3
InChIKeyCIPOCILQDOZXEY-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.76
Rot. Bonds3

About N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine

N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine (PubChem CID 167018962) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine
PubChem CID167018962
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC NameN-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1C=CC(F)=CC1
InChIInChI=1S/C11H18FN/c1-9(2)13(3)8-10-4-6-11(12)7-5-10/h4,6-7,9-10H,5,8H2,1-3H3
InChIKeyCIPOCILQDOZXEY-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine (CID 167018962) is N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine is CC(C)N(C)CC1C=CC(F)=CC1.
What is the InChIKey of N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is CIPOCILQDOZXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(2)13(3)8-10-4-6-11(12)7-5-10/h4,6-7,9-10H,5,8H2,1-3H3.
What are the key properties of N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine?
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 183.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 167018962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).