N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C19H19FN2 — CID 44583602

IUPACN-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESFc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1
InChIInChI=1S/C19H19FN2/c20-14-9-10-17-16(11-14)15-7-4-8-18(19(15)22-17)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,21-22H,4,7-8,12H2
InChIKeyBTTUUWOQKXRGBG-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.47
Rot. Bonds3

About N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 44583602) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID44583602
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC NameN-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESFc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1
InChIInChI=1S/C19H19FN2/c20-14-9-10-17-16(11-14)15-7-4-8-18(19(15)22-17)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,21-22H,4,7-8,12H2
InChIKeyBTTUUWOQKXRGBG-UHFFFAOYSA-N
XLogP4.47
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 44583602) is N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Fc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1.
What is the InChIKey of N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is BTTUUWOQKXRGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2/c20-14-9-10-17-16(11-14)15-7-4-8-18(19(15)22-17)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,21-22H,4,7-8,12H2.
What are the key properties of N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 294.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 44583602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).