5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine

C14H19F2NO — CID 134345847

IUPAC5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)OCNC1CCc2cc(F)cc(F)c21
InChIInChI=1S/C14H19F2NO/c1-14(2,3)18-8-17-12-5-4-9-6-10(15)7-11(16)13(9)12/h6-7,12,17H,4-5,8H2,1-3H3
InChIKeyKHEUWVCTPJMLDH-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.31
Rot. Bonds3

About 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine

5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 134345847) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID134345847
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)OCNC1CCc2cc(F)cc(F)c21
InChIInChI=1S/C14H19F2NO/c1-14(2,3)18-8-17-12-5-4-9-6-10(15)7-11(16)13(9)12/h6-7,12,17H,4-5,8H2,1-3H3
InChIKeyKHEUWVCTPJMLDH-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-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-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
N-Methyl-1(R)-aminoindan
CID 5494442
(S)-N-Methyl-2,3-dihydro-1H-inden-1-amine
CID 15859055
4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54775831
5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 55264704
Rasagiline Impurity 33
CID 28178752
N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 126810075
N-propyl-2,3-dihydro-1H-inden-1-amine
CID 19710228
tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 68618459
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 15353677
N-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 15859052
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 15859053

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine (CID 134345847) is 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine is CC(C)(C)OCNC1CCc2cc(F)cc(F)c21.
What is the InChIKey of 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KHEUWVCTPJMLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(2,3)18-8-17-12-5-4-9-6-10(15)7-11(16)13(9)12/h6-7,12,17H,4-5,8H2,1-3H3.
What are the key properties of 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine?
5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134345847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).