4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine

C18H19ClN2 — CID 2926563

IUPAC4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine
SMILESNc1cccc2c1NC(c1ccc(Cl)cc1)C1CCCC21
InChIInChI=1S/C18H19ClN2/c19-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(20)18(15)21-17/h2,5-10,13-14,17,21H,1,3-4,20H2
InChIKeyDPDVLHAMYZQEMF-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.97
Rot. Bonds1

About 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine

4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine (PubChem CID 2926563) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine
PubChem CID2926563
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine
SMILESNc1cccc2c1NC(c1ccc(Cl)cc1)C1CCCC21
InChIInChI=1S/C18H19ClN2/c19-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(20)18(15)21-17/h2,5-10,13-14,17,21H,1,3-4,20H2
InChIKeyDPDVLHAMYZQEMF-UHFFFAOYSA-N
XLogP4.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 3120366
4-(4-Chlorophenyl)-6-fluoro-3H,3AH,4H,5H,9BH-cyclopenta[C]quinoline
CID 4149893
1-(2-Aminophenyl)-6-chlorospiro[indoline-3,4'-piperidine]dihydrochloride
CID 12801632
4-(4-chlorophenyl)-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 2881973
8-Chloro-4-phenyl-3H,3AH,4H,5H,9BH-cyclopenta[C]quinoline
CID 3115072
(3aR,4S,9bS)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 15319694
4-(3-chlorophenyl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17238536
8-Chloro-4-(4-chlorophenyl)-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinoline
CID 3118753
4-(3-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17238528
(2R)-2-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline
CID 138970519
(3aS,4R,9bR)-4-(2-chlorophenyl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 1245503
2-(4-Chlorophenyl)-4,8-dimethyl-1,2,3,4-tetrahydroquinoline
CID 3754585

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine?
The IUPAC name of 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine (CID 2926563) is 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine?
The canonical SMILES for 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine is Nc1cccc2c1NC(c1ccc(Cl)cc1)C1CCCC21.
What is the InChIKey of 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine?
The InChIKey is DPDVLHAMYZQEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c19-12-9-7-11(8-10-12)17-14-4-1-3-13(14)15-5-2-6-16(20)18(15)21-17/h2,5-10,13-14,17,21H,1,3-4,20H2.
What are the key properties of 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine?
4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine has a molecular weight of 298.82 g/mol, XLogP of 4.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-6-amine is sourced from PubChem (CID 2926563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).