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

C17H17ClFN — CID 107849957

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(NC1Cc2ccccc2C1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H17ClFN/c1-11(12-6-7-16(18)17(19)10-12)20-15-8-13-4-2-3-5-14(13)9-15/h2-7,10-11,15,20H,8-9H2,1H3
InChIKeyKCAQHXCTFYRKPS-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.30
Rot. Bonds3

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

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 107849957) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID107849957
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCC(NC1Cc2ccccc2C1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H17ClFN/c1-11(12-6-7-16(18)17(19)10-12)20-15-8-13-4-2-3-5-14(13)9-15/h2-7,10-11,15,20H,8-9H2,1H3
InChIKeyKCAQHXCTFYRKPS-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 ≤ 500289.78
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81348211
4-N-[1-(4-chloro-3-fluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 83068982
N-[1-(2,3,4-trichlorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849898
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83057984
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-phenylcyclopropan-1-amine
CID 83069385
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084
N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81353163
5-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpiperidin-2-one
CID 82993684
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
5-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 115349151
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 82991599

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 107849957) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is CC(NC1Cc2ccccc2C1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KCAQHXCTFYRKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11(12-6-7-16(18)17(19)10-12)20-15-8-13-4-2-3-5-14(13)9-15/h2-7,10-11,15,20H,8-9H2,1H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 289.78 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-(4-chloro-3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 107849957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).