5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C13H15ClN2O — CID 83843758

IUPAC5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCOc1ccc(Cl)c2c3c([nH]c12)CCC(N)C3
InChIInChI=1S/C13H15ClN2O/c1-17-11-5-3-9(14)12-8-6-7(15)2-4-10(8)16-13(11)12/h3,5,7,16H,2,4,6,15H2,1H3
InChIKeyBUJZGWCYLZTQOX-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.65
Rot. Bonds1

About 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine

5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 83843758) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID83843758
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCOc1ccc(Cl)c2c3c([nH]c12)CCC(N)C3
InChIInChI=1S/C13H15ClN2O/c1-17-11-5-3-9(14)12-8-6-7(15)2-4-10(8)16-13(11)12/h3,5,7,16H,2,4,6,15H2,1H3
InChIKeyBUJZGWCYLZTQOX-UHFFFAOYSA-N
XLogP2.65
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 83841728
9-chloro-6-methoxy-1,3,4,5-tetrahydropyrano[4,3-b]quinolin-10-one
CID 106470878
8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891794
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-amine
CID 84740818
(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine
CID 83868244
3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole
CID 84646318
5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82495738
8-methoxy-1,2,3,4-tetrahydrophenanthren-3-amine
CID 57021351
5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 141078769
8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
CID 83488134
5-methoxy-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891872
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 83843758) is 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine is COc1ccc(Cl)c2c3c([nH]c12)CCC(N)C3.
What is the InChIKey of 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is BUJZGWCYLZTQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-17-11-5-3-9(14)12-8-6-7(15)2-4-10(8)16-13(11)12/h3,5,7,16H,2,4,6,15H2,1H3.
What are the key properties of 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 250.73 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 83843758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).