2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol

C18H18N2O — CID 118185068

IUPAC2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol
SMILESNc1cc(-n2c3c(c4ccccc42)CCCC3)ccc1O
InChIInChI=1S/C18H18N2O/c19-15-11-12(9-10-18(15)21)20-16-7-3-1-5-13(16)14-6-2-4-8-17(14)20/h1,3,5,7,9-11,21H,2,4,6,8,19H2
InChIKeyBNSSCYSXOVPFKS-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.80
Rot. Bonds1

About 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol

2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol (PubChem CID 118185068) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol
PubChem CID118185068
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol
SMILESNc1cc(-n2c3c(c4ccccc42)CCCC3)ccc1O
InChIInChI=1S/C18H18N2O/c19-15-11-12(9-10-18(15)21)20-16-7-3-1-5-13(16)14-6-2-4-8-17(14)20/h1,3,5,7,9-11,21H,2,4,6,8,19H2
InChIKeyBNSSCYSXOVPFKS-UHFFFAOYSA-N
XLogP3.80
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol?
The IUPAC name of 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol (CID 118185068) is 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol.
What is the SMILES notation for 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol?
The canonical SMILES for 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol is Nc1cc(-n2c3c(c4ccccc42)CCCC3)ccc1O.
What is the InChIKey of 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol?
The InChIKey is BNSSCYSXOVPFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-15-11-12(9-10-18(15)21)20-16-7-3-1-5-13(16)14-6-2-4-8-17(14)20/h1,3,5,7,9-11,21H,2,4,6,8,19H2.
What are the key properties of 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol?
2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol has a molecular weight of 278.36 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,2,3,4-tetrahydrocarbazol-9-yl)phenol is sourced from PubChem (CID 118185068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).