2-amino-5-[(1R)-1-aminoethyl]phenol

C8H12N2O — CID 55297300

IUPAC2-amino-5-[(1R)-1-aminoethyl]phenol
SMILESC[C@@H](N)c1ccc(N)c(O)c1
InChIInChI=1S/C8H12N2O/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5,11H,9-10H2,1H3/t5-/m1/s1
InChIKeyAIJZYWKCDQZFKU-RXMQYKEDSA-N
MW152.20 g/mol
LogP0.99
Rot. Bonds1

About 2-amino-5-[(1R)-1-aminoethyl]phenol

2-amino-5-[(1R)-1-aminoethyl]phenol (PubChem CID 55297300) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-amino-5-[(1R)-1-aminoethyl]phenol.

Molecular Properties

Compound Name2-amino-5-[(1R)-1-aminoethyl]phenol
PubChem CID55297300
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-amino-5-[(1R)-1-aminoethyl]phenol
SMILESC[C@@H](N)c1ccc(N)c(O)c1
InChIInChI=1S/C8H12N2O/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5,11H,9-10H2,1H3/t5-/m1/s1
InChIKeyAIJZYWKCDQZFKU-RXMQYKEDSA-N
XLogP0.99
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.99
H-Bond Donors ≤ 53
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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Related Compounds

2-amino-5-[(4-amino-3-hydroxyphenyl)-hydroxymethyl]phenol
CID 22289992
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
3-amino-5-(1-aminoethyl)benzene-1,2-diol
CID 130060617
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475
5-(1-aminoethyl)benzene-1,2,3-triol
CID 55295720
2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenol
CID 12994034
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
(3S)-3-amino-3-(4-amino-3-hydroxyphenyl)propanenitrile
CID 130619063
2-amino-5-[amino(cyclobutyl)methyl]phenol
CID 130061977
2-amino-5-bromophenol;2-methylpropane
CID 143907828

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1R)-1-aminoethyl]phenol?
The IUPAC name of 2-amino-5-[(1R)-1-aminoethyl]phenol (CID 55297300) is 2-amino-5-[(1R)-1-aminoethyl]phenol.
What is the SMILES notation for 2-amino-5-[(1R)-1-aminoethyl]phenol?
The canonical SMILES for 2-amino-5-[(1R)-1-aminoethyl]phenol is C[C@@H](N)c1ccc(N)c(O)c1.
What is the InChIKey of 2-amino-5-[(1R)-1-aminoethyl]phenol?
The InChIKey is AIJZYWKCDQZFKU-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(9)6-2-3-7(10)8(11)4-6/h2-5,11H,9-10H2,1H3/t5-/m1/s1.
What are the key properties of 2-amino-5-[(1R)-1-aminoethyl]phenol?
2-amino-5-[(1R)-1-aminoethyl]phenol has a molecular weight of 152.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1R)-1-aminoethyl]phenol is sourced from PubChem (CID 55297300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).