N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine

C18H20FN — CID 63427980

IUPACN-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H20FN/c1-2-20-12-13-6-9-18(19)17(10-13)16-8-7-14-4-3-5-15(14)11-16/h6-11,20H,2-5,12H2,1H3
InChIKeyXPPVUSRKTPGKPP-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.09
Rot. Bonds4

About N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine

N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine (PubChem CID 63427980) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
PubChem CID63427980
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC NameN-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H20FN/c1-2-20-12-13-6-9-18(19)17(10-13)16-8-7-14-4-3-5-15(14)11-16/h6-11,20H,2-5,12H2,1H3
InChIKeyXPPVUSRKTPGKPP-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-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

Related Compounds

N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428027
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[[4-(1,3-dihydro-2-benzofuran-5-yl)-3-fluorophenyl]methyl]ethanamine
CID 81441574
N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine
CID 106888690
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-[[4-fluoro-3-(5-methylthiophen-3-yl)phenyl]methyl]ethanamine
CID 65099885
N-[[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methyl]ethanamine
CID 63809220
3-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzoic acid
CID 107957682
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 115375063
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
CID 115503166

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine (CID 63427980) is N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine is CCNCc1ccc(F)c(-c2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine?
The InChIKey is XPPVUSRKTPGKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-2-20-12-13-6-9-18(19)17(10-13)16-8-7-14-4-3-5-15(14)11-16/h6-11,20H,2-5,12H2,1H3.
What are the key properties of N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine?
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine has a molecular weight of 269.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63427980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).