2-amino-2-(4-nitrophenyl)propan-1-ol

C9H12N2O3 — CID 55268506

IUPAC2-amino-2-(4-nitrophenyl)propan-1-ol
SMILESCC(N)(CO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O3/c1-9(10,6-12)7-2-4-8(5-3-7)11(13)14/h2-5,12H,6,10H2,1H3
InChIKeyNDFKWFAGVUZTGV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-2-(4-nitrophenyl)propan-1-ol

2-amino-2-(4-nitrophenyl)propan-1-ol (PubChem CID 55268506) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-2-(4-nitrophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(4-nitrophenyl)propan-1-ol
PubChem CID55268506
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-amino-2-(4-nitrophenyl)propan-1-ol
SMILESCC(N)(CO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O3/c1-9(10,6-12)7-2-4-8(5-3-7)11(13)14/h2-5,12H,6,10H2,1H3
InChIKeyNDFKWFAGVUZTGV-UHFFFAOYSA-N
XLogP0.76
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-hydroxy-2-(4-nitrophenyl)propanoic acid
CID 20980482
[(2S)-3-hydroxy-2-methyl-2-(4-nitrophenyl)propyl] 2-methylpropanoate
CID 177451676
3-methyl-3-(4-nitrophenyl)butan-1-amine
CID 67545065
1-(4-nitrophenyl)-1-pyridin-4-ylethanamine
CID 67390601
3-methyl-3-(4-nitrophenyl)pentanedioic acid
CID 13495587
1-(2,3-dimethylbutan-2-yl)-4-nitrobenzene
CID 121011525
1-[3,4-diethyl-4-(4-nitrophenyl)hexan-3-yl]-4-nitrobenzene
CID 14740493
1,1,1-trifluoro-2-(4-nitrophenyl)propan-2-ol
CID 58813053
2-ethyl-2-(4-nitrophenyl)butanenitrile
CID 67546505
2,2-dimethyl-1-(4-nitrophenyl)propane-1,3-diol
CID 14941347
1-[2-methyl-1-[2-methyl-2-(4-nitrophenyl)butoxy]butan-2-yl]-4-nitrobenzene
CID 57114959
4-bromo-4-(4-nitrophenyl)pentan-2-one
CID 11000620

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-nitrophenyl)propan-1-ol?
The IUPAC name of 2-amino-2-(4-nitrophenyl)propan-1-ol (CID 55268506) is 2-amino-2-(4-nitrophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(4-nitrophenyl)propan-1-ol?
The canonical SMILES for 2-amino-2-(4-nitrophenyl)propan-1-ol is CC(N)(CO)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-2-(4-nitrophenyl)propan-1-ol?
The InChIKey is NDFKWFAGVUZTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(10,6-12)7-2-4-8(5-3-7)11(13)14/h2-5,12H,6,10H2,1H3.
What are the key properties of 2-amino-2-(4-nitrophenyl)propan-1-ol?
2-amino-2-(4-nitrophenyl)propan-1-ol has a molecular weight of 196.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-nitrophenyl)propan-1-ol is sourced from PubChem (CID 55268506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).