N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine

C11H18FN — CID 142256481

IUPACN-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCC1=C(F)CCC=C1
InChIInChI=1S/C11H18FN/c1-9(2)13-8-7-10-5-3-4-6-11(10)12/h3,5,9,13H,4,6-8H2,1-2H3
InChIKeyPLIAYIHNOMMNOW-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.95
Rot. Bonds4

About N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine

N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine (PubChem CID 142256481) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine
PubChem CID142256481
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC NameN-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCC1=C(F)CCC=C1
InChIInChI=1S/C11H18FN/c1-9(2)13-8-7-10-5-3-4-6-11(10)12/h3,5,9,13H,4,6-8H2,1-2H3
InChIKeyPLIAYIHNOMMNOW-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine (CID 142256481) is N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine is CC(C)NCCC1=C(F)CCC=C1.
What is the InChIKey of N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine?
The InChIKey is PLIAYIHNOMMNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-9(2)13-8-7-10-5-3-4-6-11(10)12/h3,5,9,13H,4,6-8H2,1-2H3.
What are the key properties of N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine?
N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine has a molecular weight of 183.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 142256481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).