6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride

C15H20ClFN2 — CID 23470501

IUPAC6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
SMILESCc1c(F)ccc2[nH]c3c(c12)CC(N(C)C)CC3.Cl
InChIInChI=1S/C15H19FN2.ClH/c1-9-12(16)5-7-14-15(9)11-8-10(18(2)3)4-6-13(11)17-14;/h5,7,10,17H,4,6,8H2,1-3H3;1H
InChIKeyLOALTRUHDMCFSK-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.46
Rot. Bonds1

About 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride

6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride (PubChem CID 23470501) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride.

Molecular Properties

Compound Name6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
PubChem CID23470501
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
SMILESCc1c(F)ccc2[nH]c3c(c12)CC(N(C)C)CC3.Cl
InChIInChI=1S/C15H19FN2.ClH/c1-9-12(16)5-7-14-15(9)11-8-10(18(2)3)4-6-13(11)17-14;/h5,7,10,17H,4,6,8H2,1-3H3;1H
InChIKeyLOALTRUHDMCFSK-UHFFFAOYSA-N
XLogP3.46
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The IUPAC name of 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride (CID 23470501) is 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride.
What is the SMILES notation for 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The canonical SMILES for 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride is Cc1c(F)ccc2[nH]c3c(c12)CC(N(C)C)CC3.Cl.
What is the InChIKey of 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
The InChIKey is LOALTRUHDMCFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2.ClH/c1-9-12(16)5-7-14-15(9)11-8-10(18(2)3)4-6-13(11)17-14;/h5,7,10,17H,4,6,8H2,1-3H3;1H.
What are the key properties of 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride?
6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride has a molecular weight of 282.79 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride is sourced from PubChem (CID 23470501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).