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

C17H17ClFN — CID 81301040

IUPAC5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1cccc(CCNC2Cc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C17H17ClFN/c18-15-5-4-13-10-17(11-14(13)9-15)20-7-6-12-2-1-3-16(19)8-12/h1-5,8-9,17,20H,6-7,10-11H2
InChIKeyWVPKGWRDQZQXLB-UHFFFAOYSA-N
MW289.78 g/mol
LogP3.78
Rot. Bonds4

About 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 81301040) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID81301040
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1cccc(CCNC2Cc3ccc(Cl)cc3C2)c1
InChIInChI=1S/C17H17ClFN/c18-15-5-4-13-10-17(11-14(13)9-15)20-7-6-12-2-1-3-16(19)8-12/h1-5,8-9,17,20H,6-7,10-11H2
InChIKeyWVPKGWRDQZQXLB-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81300561
3-(2-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]cyclobutan-1-amine
CID 43635646
3-N-[2-(3-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 79461214
N-[2-(3-fluorophenyl)ethyl]-1-methylazepan-4-amine
CID 65070357
5-chloro-N-(2-cyclohexylethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348932
5-chloro-N-[(E)-pent-3-enyl]-2,3-dihydro-1H-inden-2-amine
CID 115890130
N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086258
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
5-chloro-N-(2-prop-2-enylsulfanylethyl)-2,3-dihydro-1H-inden-2-amine
CID 103901370
5-chloro-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115349088
5-chloro-N-phenylmethoxy-2,3-dihydro-1H-inden-2-amine
CID 82709693

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 81301040) is 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is Fc1cccc(CCNC2Cc3ccc(Cl)cc3C2)c1.
What is the InChIKey of 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is WVPKGWRDQZQXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c18-15-5-4-13-10-17(11-14(13)9-15)20-7-6-12-2-1-3-16(19)8-12/h1-5,8-9,17,20H,6-7,10-11H2.
What are the key properties of 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 289.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81301040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).