6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C20H21BrN2O — CID 154949452

IUPAC6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCOc1ccccc1CNC1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C20H21BrN2O/c1-24-19-8-3-2-5-13(19)12-22-18-7-4-6-15-16-11-14(21)9-10-17(16)23-20(15)18/h2-3,5,8-11,18,22-23H,4,6-7,12H2,1H3
InChIKeyZYETTXWVRDHMLG-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.11
Rot. Bonds4

About 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 154949452) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID154949452
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCOc1ccccc1CNC1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C20H21BrN2O/c1-24-19-8-3-2-5-13(19)12-22-18-7-4-6-15-16-11-14(21)9-10-17(16)23-20(15)18/h2-3,5,8-11,18,22-23H,4,6-7,12H2,1H3
InChIKeyZYETTXWVRDHMLG-UHFFFAOYSA-N
XLogP5.11
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2177287
6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11258664
6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142505549
(1R)-6-bromo-N-[(5-tert-butylthiophen-2-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 163706735
[3-[[[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]methyl]phenyl]boronic acid
CID 149228122
1-[4-[[4-[[[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]methyl]phenyl]methyl]piperazin-1-yl]ethanone
CID 163410624
(1R)-6-bromo-N-[(3-iodophenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine;(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine;1-iodo-3-methoxybenzene
CID 163419035
6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 68927585
N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11442728
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
CID 11474133
N-[(4-bromophenyl)methyl]-6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 139026770
6-bromo-1-(2-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5037312

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 154949452) is 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is COc1ccccc1CNC1CCCc2c1[nH]c1ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is ZYETTXWVRDHMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-24-19-8-3-2-5-13(19)12-22-18-7-4-6-15-16-11-14(21)9-10-17(16)23-20(15)18/h2-3,5,8-11,18,22-23H,4,6-7,12H2,1H3.
What are the key properties of 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 385.31 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 154949452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).