1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine

C23H23BrN2O — CID 86298704

IUPAC1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCn1c2ccc(Br)cc2c2cc(CNCc3ccccc3OC)ccc21
InChIInChI=1S/C23H23BrN2O/c1-3-26-21-10-8-16(12-19(21)20-13-18(24)9-11-22(20)26)14-25-15-17-6-4-5-7-23(17)27-2/h4-13,25H,3,14-15H2,1-2H3
InChIKeyUAEVJLRBGJAWQN-UHFFFAOYSA-N
MW423.35 g/mol
LogP5.88
Rot. Bonds6

About 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine

1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine (PubChem CID 86298704) has the molecular formula C23H23BrN2O and a molecular weight of 423.35 g/mol. Its IUPAC name is 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
PubChem CID86298704
Molecular FormulaC23H23BrN2O
Molecular Weight423.35 g/mol
Exact Mass422.10
IUPAC Name1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCn1c2ccc(Br)cc2c2cc(CNCc3ccccc3OC)ccc21
InChIInChI=1S/C23H23BrN2O/c1-3-26-21-10-8-16(12-19(21)20-13-18(24)9-11-22(20)26)14-25-15-17-6-4-5-7-23(17)27-2/h4-13,25H,3,14-15H2,1-2H3
InChIKeyUAEVJLRBGJAWQN-UHFFFAOYSA-N
XLogP5.88
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.35
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine (CID 86298704) is 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine is CCn1c2ccc(Br)cc2c2cc(CNCc3ccccc3OC)ccc21.
What is the InChIKey of 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The InChIKey is UAEVJLRBGJAWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O/c1-3-26-21-10-8-16(12-19(21)20-13-18(24)9-11-22(20)26)14-25-15-17-6-4-5-7-23(17)27-2/h4-13,25H,3,14-15H2,1-2H3.
What are the key properties of 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine has a molecular weight of 423.35 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 86298704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).