4-ethoxy-9-propan-2-ylcarbazol-3-amine

C17H20N2O — CID 11140136

IUPAC4-ethoxy-9-propan-2-ylcarbazol-3-amine
SMILESCCOc1c(N)ccc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C17H20N2O/c1-4-20-17-13(18)9-10-15-16(17)12-7-5-6-8-14(12)19(15)11(2)3/h5-11H,4,18H2,1-3H3
InChIKeyZTPWZVPCMQXVOW-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.36
Rot. Bonds3

About 4-ethoxy-9-propan-2-ylcarbazol-3-amine

4-ethoxy-9-propan-2-ylcarbazol-3-amine (PubChem CID 11140136) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-ethoxy-9-propan-2-ylcarbazol-3-amine.

Molecular Properties

Compound Name4-ethoxy-9-propan-2-ylcarbazol-3-amine
PubChem CID11140136
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-ethoxy-9-propan-2-ylcarbazol-3-amine
SMILESCCOc1c(N)ccc2c1c1ccccc1n2C(C)C
InChIInChI=1S/C17H20N2O/c1-4-20-17-13(18)9-10-15-16(17)12-7-5-6-8-14(12)19(15)11(2)3/h5-11H,4,18H2,1-3H3
InChIKeyZTPWZVPCMQXVOW-UHFFFAOYSA-N
XLogP4.36
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-9-propan-2-ylcarbazol-3-amine?
The IUPAC name of 4-ethoxy-9-propan-2-ylcarbazol-3-amine (CID 11140136) is 4-ethoxy-9-propan-2-ylcarbazol-3-amine.
What is the SMILES notation for 4-ethoxy-9-propan-2-ylcarbazol-3-amine?
The canonical SMILES for 4-ethoxy-9-propan-2-ylcarbazol-3-amine is CCOc1c(N)ccc2c1c1ccccc1n2C(C)C.
What is the InChIKey of 4-ethoxy-9-propan-2-ylcarbazol-3-amine?
The InChIKey is ZTPWZVPCMQXVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-20-17-13(18)9-10-15-16(17)12-7-5-6-8-14(12)19(15)11(2)3/h5-11H,4,18H2,1-3H3.
What are the key properties of 4-ethoxy-9-propan-2-ylcarbazol-3-amine?
4-ethoxy-9-propan-2-ylcarbazol-3-amine has a molecular weight of 268.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-9-propan-2-ylcarbazol-3-amine is sourced from PubChem (CID 11140136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).