2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol

C18H24N2O3 — CID 143613609

IUPAC2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol
SMILESCc1c(N)cc(CCO)cc1Cc1cc(CCO)cc(N)c1O
InChIInChI=1S/C18H24N2O3/c1-11-14(6-12(2-4-21)8-16(11)19)10-15-7-13(3-5-22)9-17(20)18(15)23/h6-9,21-23H,2-5,10,19-20H2,1H3
InChIKeyFHGLJTHGJGHHRW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.53
Rot. Bonds6

About 2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol

2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol (PubChem CID 143613609) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol
PubChem CID143613609
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol
SMILESCc1c(N)cc(CCO)cc1Cc1cc(CCO)cc(N)c1O
InChIInChI=1S/C18H24N2O3/c1-11-14(6-12(2-4-21)8-16(11)19)10-15-7-13(3-5-22)9-17(20)18(15)23/h6-9,21-23H,2-5,10,19-20H2,1H3
InChIKeyFHGLJTHGJGHHRW-UHFFFAOYSA-N
XLogP1.53
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol?
The IUPAC name of 2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol (CID 143613609) is 2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol.
What is the SMILES notation for 2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol?
The canonical SMILES for 2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol is Cc1c(N)cc(CCO)cc1Cc1cc(CCO)cc(N)c1O.
What is the InChIKey of 2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol?
The InChIKey is FHGLJTHGJGHHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11-14(6-12(2-4-21)8-16(11)19)10-15-7-13(3-5-22)9-17(20)18(15)23/h6-9,21-23H,2-5,10,19-20H2,1H3.
What are the key properties of 2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol?
2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol has a molecular weight of 316.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[3-amino-5-(2-hydroxyethyl)-2-methylphenyl]methyl]-4-(2-hydroxyethyl)phenol is sourced from PubChem (CID 143613609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).