N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C17H17F2N — CID 43204034

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N/c1-11(13-6-8-15(18)16(19)10-13)20-17-9-7-12-4-2-3-5-14(12)17/h2-6,8,10-11,17,20H,7,9H2,1H3
InChIKeyZVRNXVBSIKXWPO-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.30
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43204034) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43204034
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCC(NC1CCc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N/c1-11(13-6-8-15(18)16(19)10-13)20-17-9-7-12-4-2-3-5-14(12)17/h2-6,8,10-11,17,20H,7,9H2,1H3
InChIKeyZVRNXVBSIKXWPO-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-Benzylamphetamine
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Bis(alpha-methylbenzyl)amine
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N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
1-(9H-Fluoren-9-yl)piperazine
CID 410205
N-Methyl-1(R)-aminoindan
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[18F]fluororasagiline
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4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
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Dimefadane
CID 21760

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 43204034) is N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is CC(NC1CCc2ccccc21)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZVRNXVBSIKXWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-11(13-6-8-15(18)16(19)10-13)20-17-9-7-12-4-2-3-5-14(12)17/h2-6,8,10-11,17,20H,7,9H2,1H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43204034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).