4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine

C13H20FNO — CID 115584501

IUPAC4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
SMILESCCOCCCCNCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-2-16-9-4-3-8-15-11-12-6-5-7-13(14)10-12/h5-7,10,15H,2-4,8-9,11H2,1H3
InChIKeyRYMPCHQFEGKGHK-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.73
Rot. Bonds8

About 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine

4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine (PubChem CID 115584501) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
PubChem CID115584501
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
SMILESCCOCCCCNCc1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-2-16-9-4-3-8-15-11-12-6-5-7-13(14)10-12/h5-7,10,15H,2-4,8-9,11H2,1H3
InChIKeyRYMPCHQFEGKGHK-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
CID 115203879
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
1-(4-ethoxybutyl)-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine
CID 111877271
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 60977027
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
N-[(4-bromophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584489
N-[(3-fluorophenyl)methyl]hept-6-en-1-amine
CID 107006535
5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline
CID 84747186

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine (CID 115584501) is 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine is CCOCCCCNCc1cccc(F)c1.
What is the InChIKey of 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine?
The InChIKey is RYMPCHQFEGKGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-2-16-9-4-3-8-15-11-12-6-5-7-13(14)10-12/h5-7,10,15H,2-4,8-9,11H2,1H3.
What are the key properties of 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine?
4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine is sourced from PubChem (CID 115584501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).