(E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine

C21H17BrN2O — CID 170293781

IUPAC(E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine
SMILESC/C=C(\N)n1c2ccccc2c2ccc(Oc3cccc(Br)c3)cc21
InChIInChI=1S/C21H17BrN2O/c1-2-21(23)24-19-9-4-3-8-17(19)18-11-10-16(13-20(18)24)25-15-7-5-6-14(22)12-15/h2-13H,23H2,1H3/b21-2+
InChIKeyJBDUORRXOYTJGQ-WKOHNKLBSA-N
MW393.28 g/mol
LogP6.13
Rot. Bonds3

About (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine

(E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine (PubChem CID 170293781) has the molecular formula C21H17BrN2O and a molecular weight of 393.28 g/mol. Its IUPAC name is (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine
PubChem CID170293781
Molecular FormulaC21H17BrN2O
Molecular Weight393.28 g/mol
Exact Mass392.05
IUPAC Name(E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine
SMILESC/C=C(\N)n1c2ccccc2c2ccc(Oc3cccc(Br)c3)cc21
InChIInChI=1S/C21H17BrN2O/c1-2-21(23)24-19-9-4-3-8-17(19)18-11-10-16(13-20(18)24)25-15-7-5-6-14(22)12-15/h2-13H,23H2,1H3/b21-2+
InChIKeyJBDUORRXOYTJGQ-WKOHNKLBSA-N
XLogP6.13
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.28
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(3-bromophenoxy)carbazol-9-yl]-4-pyridinyl]-triphenylsilane
CID 164725465
5-[2-(3-bromophenoxy)carbazol-9-yl]-7-tert-butyltelluropheno[3,2-b]pyridine
CID 167378721
4-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]iminopent-2-en-2-amine
CID 144796676
9-[3-(3-bromo-5-iodophenoxy)phenyl]carbazole
CID 176858145
2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole
CID 163420311
2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane
CID 160810731
4-(3-bromophenoxy)-3-methylbenzenecarbothioamide
CID 54934108
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
(E)-3-[4-(3-bromophenoxy)phenyl]prop-2-enoic acid
CID 29058852
2-(3-bromophenoxy)-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-6-phenylcarbazole
CID 168780563
4-(3-bromophenoxy)-2-methylbenzaldehyde
CID 62136616

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine?
The IUPAC name of (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine (CID 170293781) is (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine.
What is the SMILES notation for (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine?
The canonical SMILES for (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine is C/C=C(\N)n1c2ccccc2c2ccc(Oc3cccc(Br)c3)cc21.
What is the InChIKey of (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine?
The InChIKey is JBDUORRXOYTJGQ-WKOHNKLBSA-N. The full InChI is InChI=1S/C21H17BrN2O/c1-2-21(23)24-19-9-4-3-8-17(19)18-11-10-16(13-20(18)24)25-15-7-5-6-14(22)12-15/h2-13H,23H2,1H3/b21-2+.
What are the key properties of (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine?
(E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine has a molecular weight of 393.28 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(3-bromophenoxy)carbazol-9-yl]prop-1-en-1-amine is sourced from PubChem (CID 170293781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).