2-methoxy-9-octylcarbazol-3-amine

C21H28N2O — CID 14114866

IUPAC2-methoxy-9-octylcarbazol-3-amine
SMILESCCCCCCCCn1c2ccccc2c2cc(N)c(OC)cc21
InChIInChI=1S/C21H28N2O/c1-3-4-5-6-7-10-13-23-19-12-9-8-11-16(19)17-14-18(22)21(24-2)15-20(17)23/h8-9,11-12,14-15H,3-7,10,13,22H2,1-2H3
InChIKeyLQYKNQABCJLMRK-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.75
Rot. Bonds8

About 2-methoxy-9-octylcarbazol-3-amine

2-methoxy-9-octylcarbazol-3-amine (PubChem CID 14114866) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-methoxy-9-octylcarbazol-3-amine.

Molecular Properties

Compound Name2-methoxy-9-octylcarbazol-3-amine
PubChem CID14114866
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-methoxy-9-octylcarbazol-3-amine
SMILESCCCCCCCCn1c2ccccc2c2cc(N)c(OC)cc21
InChIInChI=1S/C21H28N2O/c1-3-4-5-6-7-10-13-23-19-12-9-8-11-16(19)17-14-18(22)21(24-2)15-20(17)23/h8-9,11-12,14-15H,3-7,10,13,22H2,1-2H3
InChIKeyLQYKNQABCJLMRK-UHFFFAOYSA-N
XLogP5.75
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
benzene;9-octylcarbazole
CID 175067369
2,5-bis[(2-methoxy-9-octylcarbazol-3-yl)amino]cyclohexa-2,5-diene-1,4-dione
CID 15152553
9-octadecyl-2-octoxycarbazole
CID 15163807
2-dodecoxy-9-dodecylcarbazole
CID 15163810
2-octoxy-9-octylcarbazole
CID 15163804
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
9-butyl-3-methoxycarbazole
CID 132503458
5,25-didodecyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaen-15-one
CID 67958902
9-octylcarbazole-2-carbaldehyde
CID 71623415

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-octylcarbazol-3-amine?
The IUPAC name of 2-methoxy-9-octylcarbazol-3-amine (CID 14114866) is 2-methoxy-9-octylcarbazol-3-amine.
What is the SMILES notation for 2-methoxy-9-octylcarbazol-3-amine?
The canonical SMILES for 2-methoxy-9-octylcarbazol-3-amine is CCCCCCCCn1c2ccccc2c2cc(N)c(OC)cc21.
What is the InChIKey of 2-methoxy-9-octylcarbazol-3-amine?
The InChIKey is LQYKNQABCJLMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-4-5-6-7-10-13-23-19-12-9-8-11-16(19)17-14-18(22)21(24-2)15-20(17)23/h8-9,11-12,14-15H,3-7,10,13,22H2,1-2H3.
What are the key properties of 2-methoxy-9-octylcarbazol-3-amine?
2-methoxy-9-octylcarbazol-3-amine has a molecular weight of 324.47 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-octylcarbazol-3-amine is sourced from PubChem (CID 14114866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).