1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine

C20H17Cl2N3O — CID 171793946

IUPAC1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine
SMILESNCCOc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C20H17Cl2N3O/c21-12-1-4-14(5-2-12)24-15-10-17-16-9-13(22)3-6-18(16)25-20(17)19(11-15)26-8-7-23/h1-6,9-11,24-25H,7-8,23H2
InChIKeyFUUWVVCANHAWCB-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.71
Rot. Bonds5

About 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine

1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine (PubChem CID 171793946) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine.

Molecular Properties

Compound Name1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine
PubChem CID171793946
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine
SMILESNCCOc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1ccc(Cl)cc12
InChIInChI=1S/C20H17Cl2N3O/c21-12-1-4-14(5-2-12)24-15-10-17-16-9-13(22)3-6-18(16)25-20(17)19(11-15)26-8-7-23/h1-6,9-11,24-25H,7-8,23H2
InChIKeyFUUWVVCANHAWCB-UHFFFAOYSA-N
XLogP5.71
TPSA63.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine?
The IUPAC name of 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine (CID 171793946) is 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine.
What is the SMILES notation for 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine?
The canonical SMILES for 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine is NCCOc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1ccc(Cl)cc12.
What is the InChIKey of 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine?
The InChIKey is FUUWVVCANHAWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-12-1-4-14(5-2-12)24-15-10-17-16-9-13(22)3-6-18(16)25-20(17)19(11-15)26-8-7-23/h1-6,9-11,24-25H,7-8,23H2.
What are the key properties of 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine?
1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine has a molecular weight of 386.28 g/mol, XLogP of 5.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-6-chloro-N-(4-chlorophenyl)-9H-carbazol-3-amine is sourced from PubChem (CID 171793946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).