6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C15H19ClN2 — CID 65332691

IUPAC6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCNC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2/c1-2-8-17-14-5-3-4-11-12-9-10(16)6-7-13(12)18-15(11)14/h6-7,9,14,17-18H,2-5,8H2,1H3
InChIKeyXUQPBFNIDPXLSR-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.20
Rot. Bonds3

About 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65332691) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65332691
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCNC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C15H19ClN2/c1-2-8-17-14-5-3-4-11-12-9-10(16)6-7-13(12)18-15(11)14/h6-7,9,14,17-18H,2-5,8H2,1H3
InChIKeyXUQPBFNIDPXLSR-UHFFFAOYSA-N
XLogP4.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 15633401
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
CID 14197121
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333139
6-chloro-N-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;6-chloro-N-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 157259926
7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 84628008
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97425894
6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole
CID 90770100
6,8-dichloro-N-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332641
N',N'-diethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethane-1,2-diamine
CID 65333850
(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2177287

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65332691) is 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCCNC1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is XUQPBFNIDPXLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-2-8-17-14-5-3-4-11-12-9-10(16)6-7-13(12)18-15(11)14/h6-7,9,14,17-18H,2-5,8H2,1H3.
What are the key properties of 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 262.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65332691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).