(8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine

C14H17FN2 — CID 84740960

IUPAC(8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
SMILESCn1c2c(c3cccc(F)c31)C(CN)CCC2
InChIInChI=1S/C14H17FN2/c1-17-12-7-2-4-9(8-16)13(12)10-5-3-6-11(15)14(10)17/h3,5-6,9H,2,4,7-8,16H2,1H3
InChIKeyCHZJDKKPGRJTQP-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.70
Rot. Bonds1

About (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine

(8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine (PubChem CID 84740960) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine.

Molecular Properties

Compound Name(8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
PubChem CID84740960
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name(8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
SMILESCn1c2c(c3cccc(F)c31)C(CN)CCC2
InChIInChI=1S/C14H17FN2/c1-17-12-7-2-4-9(8-16)13(12)10-5-3-6-11(15)14(10)17/h3,5-6,9H,2,4,7-8,16H2,1H3
InChIKeyCHZJDKKPGRJTQP-UHFFFAOYSA-N
XLogP2.70
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-amine
CID 84740225
8,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine
CID 84740036
8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
CID 84622862
(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742499
(8-methoxy-5,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742511
7-fluoro-6-methyl-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one
CID 15712516
(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine
CID 10563187
6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
CID 169428435
8-fluoro-3,3,9-trimethyl-2,4-dihydro-1H-pyrido[3,4-b]indole
CID 84740959
[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine
CID 82593098
8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid
CID 83488265
(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)methanamine
CID 82593140

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
The IUPAC name of (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine (CID 84740960) is (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine.
What is the SMILES notation for (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
The canonical SMILES for (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine is Cn1c2c(c3cccc(F)c31)C(CN)CCC2.
What is the InChIKey of (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
The InChIKey is CHZJDKKPGRJTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-17-12-7-2-4-9(8-16)13(12)10-5-3-6-11(15)14(10)17/h3,5-6,9H,2,4,7-8,16H2,1H3.
What are the key properties of (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine?
(8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine has a molecular weight of 232.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine is sourced from PubChem (CID 84740960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).