(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine

C20H23FN2 — CID 97381001

IUPAC(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
SMILESCN(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21
InChIInChI=1S/C20H23FN2/c1-22(2)20-17-6-4-3-5-16(17)18-12-23(13-19(18)20)11-14-7-9-15(21)10-8-14/h3-10,18-20H,11-13H2,1-2H3/t18-,19-,20-/m0/s1
InChIKeyGVWQHTDXXGHFEL-UFYCRDLUSA-N
MW310.42 g/mol
LogP3.66
Rot. Bonds3

About (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine

(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine (PubChem CID 97381001) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
PubChem CID97381001
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
SMILESCN(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21
InChIInChI=1S/C20H23FN2/c1-22(2)20-17-6-4-3-5-16(17)18-12-23(13-19(18)20)11-14-7-9-15(21)10-8-14/h3-10,18-20H,11-13H2,1-2H3/t18-,19-,20-/m0/s1
InChIKeyGVWQHTDXXGHFEL-UFYCRDLUSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The IUPAC name of (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine (CID 97381001) is (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine.
What is the SMILES notation for (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The canonical SMILES for (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine is CN(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21.
What is the InChIKey of (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The InChIKey is GVWQHTDXXGHFEL-UFYCRDLUSA-N. The full InChI is InChI=1S/C20H23FN2/c1-22(2)20-17-6-4-3-5-16(17)18-12-23(13-19(18)20)11-14-7-9-15(21)10-8-14/h3-10,18-20H,11-13H2,1-2H3/t18-,19-,20-/m0/s1.
What are the key properties of (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine has a molecular weight of 310.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N,N-dimethyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine is sourced from PubChem (CID 97381001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).