(1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine

C18H19ClFN — CID 70520507

IUPAC(1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCN(C)[C@H]1C[C@H](c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H19ClFN/c1-3-21(2)18-11-15(13-6-4-5-7-14(13)18)12-8-9-17(20)16(19)10-12/h4-10,15,18H,3,11H2,1-2H3/t15-,18+/m1/s1
InChIKeyUQRVMTRTXNUHCI-QAPCUYQASA-N
MW303.81 g/mol
LogP5.01
Rot. Bonds3

About (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine

(1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 70520507) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID70520507
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC Name(1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCN(C)[C@H]1C[C@H](c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H19ClFN/c1-3-21(2)18-11-15(13-6-4-5-7-14(13)18)12-8-9-17(20)16(19)10-12/h4-10,15,18H,3,11H2,1-2H3/t15-,18+/m1/s1
InChIKeyUQRVMTRTXNUHCI-QAPCUYQASA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.81
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 70520507) is (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine is CCN(C)[C@H]1C[C@H](c2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UQRVMTRTXNUHCI-QAPCUYQASA-N. The full InChI is InChI=1S/C18H19ClFN/c1-3-21(2)18-11-15(13-6-4-5-7-14(13)18)12-8-9-17(20)16(19)10-12/h4-10,15,18H,3,11H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 303.81 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-(3-chloro-4-fluorophenyl)-N-ethyl-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 70520507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).