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

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Related Compounds

2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
6-Methyl-2-propylamino-5-heptene
CID 12541942
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881
Pyridine, 3-ethyl-1,2,5,6-tetrahydro-6-methyl-
CID 23423764
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
2-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 89035224

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).