N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine

C11H18FN — CID 143866594

IUPACN-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine
SMILESCCN(CC)CC1C=CC(F)=CC1
InChIInChI=1S/C11H18FN/c1-3-13(4-2)9-10-5-7-11(12)8-6-10/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeySFDPDPSGFXSPSD-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.76
Rot. Bonds4

About N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine

N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine (PubChem CID 143866594) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine
PubChem CID143866594
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC NameN-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine
SMILESCCN(CC)CC1C=CC(F)=CC1
InChIInChI=1S/C11H18FN/c1-3-13(4-2)9-10-5-7-11(12)8-6-10/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKeySFDPDPSGFXSPSD-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

1,3-Cyclopentadiene, 5-[2-(dimethylamino)ethyl]-
CID 546878
1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
N-butyl-1-fluoro-N-(fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 22638271
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
N-butyl-N-ethyl-1-fluorocyclohexa-2,4-dien-1-amine
CID 23123359
3-(4-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylpropan-1-amine
CID 53831859
1-[(2,6-Difluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 66807098
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 68393518
(5Z,7R)-7-fluoro-1,7-dimethyl-2,3,4,8-tetrahydroazocine
CID 69192057
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
4-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-1-methylpiperidine
CID 121306892
1-[(6-Fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 123163019

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine (CID 143866594) is N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine is CCN(CC)CC1C=CC(F)=CC1.
What is the InChIKey of N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine?
The InChIKey is SFDPDPSGFXSPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-3-13(4-2)9-10-5-7-11(12)8-6-10/h5,7-8,10H,3-4,6,9H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine?
N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine has a molecular weight of 183.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]ethanamine is sourced from PubChem (CID 143866594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).