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

C15H19BrN2 — CID 142505549

IUPAC6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)NC1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C15H19BrN2/c1-9(2)17-14-5-3-4-11-12-8-10(16)6-7-13(12)18-15(11)14/h6-9,14,17-18H,3-5H2,1-2H3
InChIKeyYNFCRVXKOYMKEQ-UHFFFAOYSA-N
MW307.24 g/mol
LogP4.31
Rot. Bonds2

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

6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 142505549) has the molecular formula C15H19BrN2 and a molecular weight of 307.24 g/mol. Its IUPAC name is 6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID142505549
Molecular FormulaC15H19BrN2
Molecular Weight307.24 g/mol
Exact Mass306.07
IUPAC Name6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)NC1CCCc2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C15H19BrN2/c1-9(2)17-14-5-3-4-11-12-8-10(16)6-7-13(12)18-15(11)14/h6-9,14,17-18H,3-5H2,1-2H3
InChIKeyYNFCRVXKOYMKEQ-UHFFFAOYSA-N
XLogP4.31
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 54.31
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

N-benzhydryl-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11442728
2-bromo-N-[(1R)-1-phenylethyl]-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-amine
CID 11189322
1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-propan-2-ylurea;hydrochloride
CID 11474671
N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 146600149
6-bromo-N-[(2R)-2-phenylpropyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11258664
6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 68927585
2-[4-[(1S)-1-[[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]amino]-2-fluoroethyl]phenyl]propan-2-ol
CID 151215373
6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 597879
N-[(1R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl]benzamide
CID 11474133
(1R)-6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 2177287
6-bromo-N-(3,4-dihydropyridin-6-yl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 143326420
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 6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 142505549) is 6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC(C)NC1CCCc2c1[nH]c1ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is YNFCRVXKOYMKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2/c1-9(2)17-14-5-3-4-11-12-8-10(16)6-7-13(12)18-15(11)14/h6-9,14,17-18H,3-5H2,1-2H3.
What are the key properties of 6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 307.24 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 142505549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).