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

C19H19BrN2 — CID 2840380

IUPACN-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1
InChIInChI=1S/C19H19BrN2/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
InChIKeyCCOWPQPKDFHXHZ-UHFFFAOYSA-N
MW355.28 g/mol
LogP5.10
Rot. Bonds3

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

N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 2840380) has the molecular formula C19H19BrN2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID2840380
Molecular FormulaC19H19BrN2
Molecular Weight355.28 g/mol
Exact Mass354.07
IUPAC NameN-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1
InChIInChI=1S/C19H19BrN2/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
InChIKeyCCOWPQPKDFHXHZ-UHFFFAOYSA-N
XLogP5.10
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.28
LogP ≤ 55.10
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

5-Bromoindole
CID 24905
5-Bromotryptamine
CID 77158
6-bromo-1H,2H,3H,4H,9H-pyrido(3,4-b)indole
CID 14680201
2-(5-bromo-1H-indol-3-yl)acetonitrile
CID 13805944
3,6-Dibromocarbazole
CID 274874
2-Phenyl-3-piperidin-3-yl-1H-indole
CID 9795587
7-Bromo-2,3,4,9-tetrahydro-1H-beta-carboline
CID 10037784
7-Bromo-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 700805
6-bromo-9H-pyrido(3,4-b)indole
CID 162883
6-Bromo-1-methyl-9H-pyrido(3,4-b)indole
CID 5380465
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
2,3,4,9-Tetrahydro-1-(phenylmethyl)-1H-pyrido(3,4-b)indole
CID 71167

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 2840380) is N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Brc1ccc2[nH]c3c(c2c1)CCCC3NCc1ccccc1.
What is the InChIKey of N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is CCOWPQPKDFHXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2/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-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 355.28 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 2840380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).