6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

C11H13ClFN — CID 123840050

IUPAC6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
SMILESCN(C)C1Cc2cc(Cl)cc(F)c2C1
InChIInChI=1S/C11H13ClFN/c1-14(2)9-4-7-3-8(12)5-11(13)10(7)6-9/h3,5,9H,4,6H2,1-2H3
InChIKeyTZSASETUXLPQTB-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.51
Rot. Bonds1

About 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine

6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 123840050) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
PubChem CID123840050
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
SMILESCN(C)C1Cc2cc(Cl)cc(F)c2C1
InChIInChI=1S/C11H13ClFN/c1-14(2)9-4-7-3-8(12)5-11(13)10(7)6-9/h3,5,9H,4,6H2,1-2H3
InChIKeyTZSASETUXLPQTB-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-7-chloro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (30)
CID 129012330
5-chloro-2,3-dihydro-1H-inden-2-amine
CID 20025639
5-chloro-2,3-dihydro-1H-inden-2-amine hydrochloride
CID 20347857
5-Chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 53438981
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
N-methyl-5-chloro-2-indanamine
CID 20347845
N-methyl-8-Chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 22292829
5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine
CID 22757700
7-Chloro-8-fluoro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 67207981
5-Chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 91618865
(R)-6-Chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 118935162
5-chloro-6-fluoro-2,3-dihydro-1H-inden-2-amine
CID 130664564

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine (CID 123840050) is 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine is CN(C)C1Cc2cc(Cl)cc(F)c2C1.
What is the InChIKey of 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is TZSASETUXLPQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-14(2)9-4-7-3-8(12)5-11(13)10(7)6-9/h3,5,9H,4,6H2,1-2H3.
What are the key properties of 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine?
6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 213.68 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-N,N-dimethyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 123840050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).