7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C13H15ClN2 — CID 84628008

IUPAC7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCNC1CCCc2c1[nH]c1cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2/c1-15-11-4-2-3-10-9-6-5-8(14)7-12(9)16-13(10)11/h5-7,11,15-16H,2-4H2,1H3
InChIKeyCFKHHFPKVZZNHW-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.42
Rot. Bonds1

About 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 84628008) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID84628008
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCNC1CCCc2c1[nH]c1cc(Cl)ccc21
InChIInChI=1S/C13H15ClN2/c1-15-11-4-2-3-10-9-6-5-8(14)7-12(9)16-13(10)11/h5-7,11,15-16H,2-4H2,1H3
InChIKeyCFKHHFPKVZZNHW-UHFFFAOYSA-N
XLogP3.42
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.42
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

N,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 84622022
6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332691
N,5,7-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333320
N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333869
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
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
6-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 15633401
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97425894
N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333996
3-bromo-6-chloro-2-cyclopropyl-1H-indole
CID 82379195
7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740349
N,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 84740064

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 84628008) is 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CNC1CCCc2c1[nH]c1cc(Cl)ccc21.
What is the InChIKey of 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is CFKHHFPKVZZNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-15-11-4-2-3-10-9-6-5-8(14)7-12(9)16-13(10)11/h5-7,11,15-16H,2-4H2,1H3.
What are the key properties of 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 234.73 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 84628008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).