N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine

C17H17F2NO — CID 141081159

IUPACN-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine
SMILESCOC1=C2CCC(NCc3c(F)cccc3F)=C2CC=C1
InChIInChI=1S/C17H17F2NO/c1-21-17-7-2-4-11-12(17)8-9-16(11)20-10-13-14(18)5-3-6-15(13)19/h2-3,5-7,20H,4,8-10H2,1H3
InChIKeyHOLKWLWVDLMJOA-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.96
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine

N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine (PubChem CID 141081159) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine
PubChem CID141081159
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine
SMILESCOC1=C2CCC(NCc3c(F)cccc3F)=C2CC=C1
InChIInChI=1S/C17H17F2NO/c1-21-17-7-2-4-11-12(17)8-9-16(11)20-10-13-14(18)5-3-6-15(13)19/h2-3,5-7,20H,4,8-10H2,1H3
InChIKeyHOLKWLWVDLMJOA-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine (CID 141081159) is N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine is COC1=C2CCC(NCc3c(F)cccc3F)=C2CC=C1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine?
The InChIKey is HOLKWLWVDLMJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-21-17-7-2-4-11-12(17)8-9-16(11)20-10-13-14(18)5-3-6-15(13)19/h2-3,5-7,20H,4,8-10H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine?
N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine has a molecular weight of 289.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-methoxy-3,7-dihydro-2H-inden-1-amine is sourced from PubChem (CID 141081159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).