N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine

C18H20FNO — CID 114746619

IUPACN-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc3c2OCCC3)c(F)c1
InChIInChI=1S/C18H20FNO/c1-2-20-12-13-8-9-15(17(19)11-13)16-7-3-5-14-6-4-10-21-18(14)16/h3,5,7-9,11,20H,2,4,6,10,12H2,1H3
InChIKeyHELMSQCCMLEZTF-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.93
Rot. Bonds4

About N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine

N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine (PubChem CID 114746619) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine
PubChem CID114746619
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cccc3c2OCCC3)c(F)c1
InChIInChI=1S/C18H20FNO/c1-2-20-12-13-8-9-15(17(19)11-13)16-7-3-5-14-6-4-10-21-18(14)16/h3,5,7-9,11,20H,2,4,6,10,12H2,1H3
InChIKeyHELMSQCCMLEZTF-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine 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-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine (CID 114746619) is N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine is CCNCc1ccc(-c2cccc3c2OCCC3)c(F)c1.
What is the InChIKey of N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine?
The InChIKey is HELMSQCCMLEZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-20-12-13-8-9-15(17(19)11-13)16-7-3-5-14-6-4-10-21-18(14)16/h3,5,7-9,11,20H,2,4,6,10,12H2,1H3.
What are the key properties of N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine?
N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dihydro-2H-chromen-8-yl)-3-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 114746619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).