N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine

C11H18FN — CID 144700957

IUPACN-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CC=C(F)CC1
InChIInChI=1S/C11H18FN/c1-9(2)7-13-8-10-3-5-11(12)6-4-10/h3,5,9,13H,4,6-8H2,1-2H3
InChIKeyYNUHIQZBFOLEGO-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.81
Rot. Bonds4

About N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine

N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine (PubChem CID 144700957) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine
PubChem CID144700957
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC NameN-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1=CC=C(F)CC1
InChIInChI=1S/C11H18FN/c1-9(2)7-13-8-10-3-5-11(12)6-4-10/h3,5,9,13H,4,6-8H2,1-2H3
InChIKeyYNUHIQZBFOLEGO-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine (CID 144700957) is N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1=CC=C(F)CC1.
What is the InChIKey of N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is YNUHIQZBFOLEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(2)7-13-8-10-3-5-11(12)6-4-10/h3,5,9,13H,4,6-8H2,1-2H3.
What are the key properties of N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine?
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 144700957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).