1-amino-2-(3-nitrophenyl)ethanol

C8H10N2O3 — CID 67570704

IUPAC1-amino-2-(3-nitrophenyl)ethanol
SMILESNC(O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c9-8(11)5-6-2-1-3-7(4-6)10(12)13/h1-4,8,11H,5,9H2
InChIKeyIIGCPOWHWYVRKX-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.41
Rot. Bonds3

About 1-amino-2-(3-nitrophenyl)ethanol

1-amino-2-(3-nitrophenyl)ethanol (PubChem CID 67570704) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-amino-2-(3-nitrophenyl)ethanol.

Molecular Properties

Compound Name1-amino-2-(3-nitrophenyl)ethanol
PubChem CID67570704
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name1-amino-2-(3-nitrophenyl)ethanol
SMILESNC(O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c9-8(11)5-6-2-1-3-7(4-6)10(12)13/h1-4,8,11H,5,9H2
InChIKeyIIGCPOWHWYVRKX-UHFFFAOYSA-N
XLogP0.41
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-nitrophenyl)propan-2-amine;hydrochloride
CID 22461228
1-chloro-2-(3-nitrophenyl)ethanamine;hydrochloride
CID 70459689
1-(3-nitrophenyl)pentan-2-amine
CID 65019651
3-(3-nitrophenyl)-2-sulfanylpropan-1-ol
CID 175196457
ethyl 2-chloro-3-(3-nitrophenyl)propanoate
CID 4162177
sodium 2-(3-nitrophenyl)acetate
CID 20571503
CID 157363920
CID 157363920
methyl 2-formamido-3-(3-nitrophenyl)propanoate
CID 23458865
N-[1-hydroxy-3-(3-nitrophenyl)propan-2-yl]acetamide
CID 22747826
1-[2-(1-chloroethyl)-3-methylbutyl]-3-nitrobenzene
CID 63471502
1,1,1-trifluoro-4-(3-nitrophenyl)butan-2-amine
CID 117047387
(3-nitrophenyl)methanesulfonic acid;hydrochloride
CID 174623089

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-nitrophenyl)ethanol?
The IUPAC name of 1-amino-2-(3-nitrophenyl)ethanol (CID 67570704) is 1-amino-2-(3-nitrophenyl)ethanol.
What is the SMILES notation for 1-amino-2-(3-nitrophenyl)ethanol?
The canonical SMILES for 1-amino-2-(3-nitrophenyl)ethanol is NC(O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-amino-2-(3-nitrophenyl)ethanol?
The InChIKey is IIGCPOWHWYVRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-8(11)5-6-2-1-3-7(4-6)10(12)13/h1-4,8,11H,5,9H2.
What are the key properties of 1-amino-2-(3-nitrophenyl)ethanol?
1-amino-2-(3-nitrophenyl)ethanol has a molecular weight of 182.18 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-nitrophenyl)ethanol is sourced from PubChem (CID 67570704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).