(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine

C19H19BrN2 — CID 175080480

IUPAC(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine
SMILESNC(c1ccccc1)C1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C19H19BrN2/c20-13-9-10-17-16(11-13)14-7-4-8-15(19(14)22-17)18(21)12-5-2-1-3-6-12/h1-3,5-6,9-11,15,18,22H,4,7-8,21H2
InChIKeyKQURBOFHSAXKFY-UHFFFAOYSA-N
MW355.28 g/mol
LogP5.05
Rot. Bonds2

About (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine

(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine (PubChem CID 175080480) has the molecular formula C19H19BrN2 and a molecular weight of 355.28 g/mol. Its IUPAC name is (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine.

Molecular Properties

Compound Name(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine
PubChem CID175080480
Molecular FormulaC19H19BrN2
Molecular Weight355.28 g/mol
Exact Mass354.07
IUPAC Name(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine
SMILESNC(c1ccccc1)C1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C19H19BrN2/c20-13-9-10-17-16(11-13)14-7-4-8-15(19(14)22-17)18(21)12-5-2-1-3-6-12/h1-3,5-6,9-11,15,18,22H,4,7-8,21H2
InChIKeyKQURBOFHSAXKFY-UHFFFAOYSA-N
XLogP5.05
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.28
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine?
The IUPAC name of (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine (CID 175080480) is (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine.
What is the SMILES notation for (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine?
The canonical SMILES for (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine is NC(c1ccccc1)C1CCCc2c1[nH]c1ccc(Br)cc21.
What is the InChIKey of (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine?
The InChIKey is KQURBOFHSAXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2/c20-13-9-10-17-16(11-13)14-7-4-8-15(19(14)22-17)18(21)12-5-2-1-3-6-12/h1-3,5-6,9-11,15,18,22H,4,7-8,21H2.
What are the key properties of (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine?
(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine has a molecular weight of 355.28 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-phenylmethanamine is sourced from PubChem (CID 175080480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).