2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine

C14H17FN2 — CID 71101672

IUPAC2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine
SMILESCC1(N)CCCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C14H17FN2/c1-14(16)6-2-3-12-11(8-14)10-7-9(15)4-5-13(10)17-12/h4-5,7,17H,2-3,6,8,16H2,1H3
InChIKeyUZNZNUGZVLYUQB-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.90
Rot. Bonds

About 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine

2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine (PubChem CID 71101672) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine.

Molecular Properties

Compound Name2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine
PubChem CID71101672
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine
SMILESCC1(N)CCCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C14H17FN2/c1-14(16)6-2-3-12-11(8-14)10-7-9(15)4-5-13(10)17-12/h4-5,7,17H,2-3,6,8,16H2,1H3
InChIKeyUZNZNUGZVLYUQB-UHFFFAOYSA-N
XLogP2.90
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.90
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-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
(2R)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-amine
CID 86330440
1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine
CID 117325794
6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333028
1-ethyl-3-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]piperidin-3-ol
CID 56730042
8-fluoro-2-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 106821098
(NE)-N-(6-fluoro-1,2,3,9-tetrahydrocarbazol-4-ylidene)hydroxylamine
CID 136780625
2-ethyl-7-fluoro-3,4,5,10-tetrahydro-1H-azepino[3,4-b]indole
CID 71425514
(3S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carbaldehyde
CID 97104269
3-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 135110530
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335745

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine?
The IUPAC name of 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine (CID 71101672) is 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine.
What is the SMILES notation for 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine?
The canonical SMILES for 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine is CC1(N)CCCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine?
The InChIKey is UZNZNUGZVLYUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-14(16)6-2-3-12-11(8-14)10-7-9(15)4-5-13(10)17-12/h4-5,7,17H,2-3,6,8,16H2,1H3.
What are the key properties of 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine?
2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine has a molecular weight of 232.30 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-methyl-6,7,8,10-tetrahydro-5H-cyclohepta[b]indol-9-amine is sourced from PubChem (CID 71101672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).