(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C20H21BrN2 — CID 2177287

IUPAC(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCc1ccccc1
InChIInChI=1S/C20H21BrN2/c21-15-9-10-18-17(13-15)16-7-4-8-19(20(16)23-18)22-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,19,22-23H,4,7-8,11-12H2/t19-/m1/s1
InChIKeyTZMBEIZTFFHEHF-LJQANCHMSA-N
MW369.31 g/mol
LogP5.14
Rot. Bonds4

About (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine

(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 2177287) has the molecular formula C20H21BrN2 and a molecular weight of 369.31 g/mol. Its IUPAC name is (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID2177287
Molecular FormulaC20H21BrN2
Molecular Weight369.31 g/mol
Exact Mass368.09
IUPAC Name(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESBrc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCc1ccccc1
InChIInChI=1S/C20H21BrN2/c21-15-9-10-18-17(13-15)16-7-4-8-19(20(16)23-18)22-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,19,22-23H,4,7-8,11-12H2/t19-/m1/s1
InChIKeyTZMBEIZTFFHEHF-LJQANCHMSA-N
XLogP5.14
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.31
LogP ≤ 55.14
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-chloro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 15633401
6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11258664
7-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-amine
CID 59014602
6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 68927585
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-(2-phenylethyl)formamide
CID 59014685
N-[2-(4-cyclopropylphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 176892760
N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11442728
[3-[[[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]methyl]phenyl]boronic acid
CID 149228122
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
CID 11474133
6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142505549
(1S)-N-benzyl-6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 1381328
6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 154949452

Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 2177287) is (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3NCCc1ccccc1.
What is the InChIKey of (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is TZMBEIZTFFHEHF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21BrN2/c21-15-9-10-18-17(13-15)16-7-4-8-19(20(16)23-18)22-12-11-14-5-2-1-3-6-14/h1-3,5-6,9-10,13,19,22-23H,4,7-8,11-12H2/t19-/m1/s1.
What are the key properties of (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 369.31 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 2177287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).