3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol

C18H18ClN3O — CID 89344445

IUPAC3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol
SMILESNc1ccc(-c2c(N)c3ccc(O)cc3n2CC2CC2)c(Cl)c1
InChIInChI=1S/C18H18ClN3O/c19-15-7-11(20)3-5-13(15)18-17(21)14-6-4-12(23)8-16(14)22(18)9-10-1-2-10/h3-8,10,23H,1-2,9,20-21H2
InChIKeyRLWBOKNYHHQHLX-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.24
Rot. Bonds3

About 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol

3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol (PubChem CID 89344445) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol.

Molecular Properties

Compound Name3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol
PubChem CID89344445
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol
SMILESNc1ccc(-c2c(N)c3ccc(O)cc3n2CC2CC2)c(Cl)c1
InChIInChI=1S/C18H18ClN3O/c19-15-7-11(20)3-5-13(15)18-17(21)14-6-4-12(23)8-16(14)22(18)9-10-1-2-10/h3-8,10,23H,1-2,9,20-21H2
InChIKeyRLWBOKNYHHQHLX-UHFFFAOYSA-N
XLogP4.24
TPSA77.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol?
The IUPAC name of 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol (CID 89344445) is 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol.
What is the SMILES notation for 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol?
The canonical SMILES for 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol is Nc1ccc(-c2c(N)c3ccc(O)cc3n2CC2CC2)c(Cl)c1.
What is the InChIKey of 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol?
The InChIKey is RLWBOKNYHHQHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c19-15-7-11(20)3-5-13(15)18-17(21)14-6-4-12(23)8-16(14)22(18)9-10-1-2-10/h3-8,10,23H,1-2,9,20-21H2.
What are the key properties of 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol?
3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol has a molecular weight of 327.82 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-amino-2-chlorophenyl)-1-(cyclopropylmethyl)indol-6-ol is sourced from PubChem (CID 89344445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).