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

C22H27FN2 — CID 97381010

IUPAC(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
SMILESCC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21
InChIInChI=1S/C22H27FN2/c1-15(2)24(3)22-19-7-5-4-6-18(19)20-13-25(14-21(20)22)12-16-8-10-17(23)11-9-16/h4-11,15,20-22H,12-14H2,1-3H3/t20-,21-,22-/m0/s1
InChIKeyBRHNIJMHHONVSZ-FKBYEOEOSA-N
MW338.47 g/mol
LogP4.44
Rot. Bonds4

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

(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine (PubChem CID 97381010) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N-methyl-N-propan-2-yl-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-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
PubChem CID97381010
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine
SMILESCC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21
InChIInChI=1S/C22H27FN2/c1-15(2)24(3)22-19-7-5-4-6-18(19)20-13-25(14-21(20)22)12-16-8-10-17(23)11-9-16/h4-11,15,20-22H,12-14H2,1-3H3/t20-,21-,22-/m0/s1
InChIKeyBRHNIJMHHONVSZ-FKBYEOEOSA-N
XLogP4.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Related Compounds

Dimefadane
CID 21760
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (-)-
CID 3065151
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-phenyl-, (+)-
CID 3065150
4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10522247
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-1-propyl-, (4a-alpha,5-alpha,9b-alpha)-
CID 55875
Dimefadane hydrochloride
CID 517910
4-[3-(4-Fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10246528
1,2,2-Trimethyl-4-(3-phenyl-indan-1-yl)-piperazine
CID 10567738
4-[7-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-trimethyl-piperazine
CID 10570260
1-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-4-methyl-piperazine
CID 13154762
1-[(1R,3S)-6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
CID 13154764
1-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine;dihydrochloride
CID 20463003

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N-methyl-N-propan-2-yl-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-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine (CID 97381010) is (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N-methyl-N-propan-2-yl-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-methyl-N-propan-2-yl-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-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine is CC(C)N(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-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
The InChIKey is BRHNIJMHHONVSZ-FKBYEOEOSA-N. The full InChI is InChI=1S/C22H27FN2/c1-15(2)24(3)22-19-7-5-4-6-18(19)20-13-25(14-21(20)22)12-16-8-10-17(23)11-9-16/h4-11,15,20-22H,12-14H2,1-3H3/t20-,21-,22-/m0/s1.
What are the key properties of (3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine?
(3aR,4R,8bR)-2-[(4-fluorophenyl)methyl]-N-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine has a molecular weight of 338.47 g/mol, XLogP of 4.44, 4 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-methyl-N-propan-2-yl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-amine is sourced from PubChem (CID 97381010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).