N-ethylethanamine;3-fluorobenzaldehyde

C11H16FNO — CID 18958425

IUPACN-ethylethanamine;3-fluorobenzaldehyde
SMILESCCNCC.O=Cc1cccc(F)c1
InChIInChI=1S/C7H5FO.C4H11N/c8-7-3-1-2-6(4-7)5-9;1-3-5-4-2/h1-5H;5H,3-4H2,1-2H3
InChIKeySCULXZPNPPGQLO-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.25
Rot. Bonds3

About N-ethylethanamine;3-fluorobenzaldehyde

N-ethylethanamine;3-fluorobenzaldehyde (PubChem CID 18958425) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is N-ethylethanamine;3-fluorobenzaldehyde.

Molecular Properties

Compound NameN-ethylethanamine;3-fluorobenzaldehyde
PubChem CID18958425
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC NameN-ethylethanamine;3-fluorobenzaldehyde
SMILESCCNCC.O=Cc1cccc(F)c1
InChIInChI=1S/C7H5FO.C4H11N/c8-7-3-1-2-6(4-7)5-9;1-3-5-4-2/h1-5H;5H,3-4H2,1-2H3
InChIKeySCULXZPNPPGQLO-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(ethylaminomethyl)benzaldehyde
CID 90105279
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
acetaldehyde;1,3-difluorobenzene
CID 160854263
1,3-difluorobenzene;ethyl formate
CID 159397616
3-(2-chloro-4-fluorophenyl)benzaldehyde
CID 50998586
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate
CID 91419249
benzaldehyde;N-benzylethanamine
CID 22227487
3-(methylaminomethyl)benzaldehyde
CID 20724862
N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62263625
1,3-difluorobenzene;formic acid
CID 158586074
3-[[methyl(propyl)amino]methyl]benzaldehyde
CID 20724863

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;3-fluorobenzaldehyde?
The IUPAC name of N-ethylethanamine;3-fluorobenzaldehyde (CID 18958425) is N-ethylethanamine;3-fluorobenzaldehyde.
What is the SMILES notation for N-ethylethanamine;3-fluorobenzaldehyde?
The canonical SMILES for N-ethylethanamine;3-fluorobenzaldehyde is CCNCC.O=Cc1cccc(F)c1.
What is the InChIKey of N-ethylethanamine;3-fluorobenzaldehyde?
The InChIKey is SCULXZPNPPGQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FO.C4H11N/c8-7-3-1-2-6(4-7)5-9;1-3-5-4-2/h1-5H;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;3-fluorobenzaldehyde?
N-ethylethanamine;3-fluorobenzaldehyde has a molecular weight of 197.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;3-fluorobenzaldehyde is sourced from PubChem (CID 18958425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).