(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C12H13ClN2 — CID 28744121

IUPAC(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESN[C@H]1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C12H13ClN2/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1,3,5,10,15H,2,4,6,14H2/t10-/m0/s1
InChIKeyQKYSNOKOSXWELO-JTQLQIEISA-N
MW220.70 g/mol
LogP3.16
Rot. Bonds

About (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine

(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 28744121) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID28744121
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESN[C@H]1CCCc2c1[nH]c1c(Cl)cccc21
InChIInChI=1S/C12H13ClN2/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1,3,5,10,15H,2,4,6,14H2/t10-/m0/s1
InChIKeyQKYSNOKOSXWELO-JTQLQIEISA-N
XLogP3.16
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.16
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

4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-amine
CID 107384143
8-chloro-2,3,4,9-tetrahydro-1H-carbazole
CID 14415821
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97425428
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-4-methoxybenzamide
CID 97426181
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-phenylpropanamide
CID 97496454
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-thiophen-2-ylacetamide
CID 97496306
N-[(1R)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
CID 97425394
N-[(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-4-carboxamide
CID 97425395
N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333996
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
CID 75489736
9-chloro-1,2,3,4-tetrahydrophenanthren-1-amine
CID 79597194

Frequently Asked Questions

What is the IUPAC name of (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 28744121) is (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine is N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21.
What is the InChIKey of (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is QKYSNOKOSXWELO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13ClN2/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1,3,5,10,15H,2,4,6,14H2/t10-/m0/s1.
What are the key properties of (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
(1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 220.70 g/mol, XLogP of 3.16, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 28744121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).