1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol

C15H17N3O3 — CID 54224879

IUPAC1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol
SMILESNc1ccc([N+](=O)[O-])c(NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C15H17N3O3/c16-12-6-7-15(18(20)21)14(9-12)17-10-13(19)8-11-4-2-1-3-5-11/h1-7,9,13,17,19H,8,10,16H2
InChIKeyQFDOATMHMPBSMN-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.19
Rot. Bonds6

About 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol

1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol (PubChem CID 54224879) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol
PubChem CID54224879
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol
SMILESNc1ccc([N+](=O)[O-])c(NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C15H17N3O3/c16-12-6-7-15(18(20)21)14(9-12)17-10-13(19)8-11-4-2-1-3-5-11/h1-7,9,13,17,19H,8,10,16H2
InChIKeyQFDOATMHMPBSMN-UHFFFAOYSA-N
XLogP2.19
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(4-chloro-2-nitroanilino)-3-phenylpropan-2-ol
CID 133300983
2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide
CID 133300989
1-(3-nitroanilino)-3-phenylpropan-2-ol
CID 166083166
1-N-benzyl-2-nitrobenzene-1,4-diamine
CID 82293642
3-N-methyl-4-nitrobenzene-1,3-diamine
CID 54558907
4-chloro-2-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-6-nitrophenol
CID 111104738
1-(2-nitroanilino)-3-phenoxypropan-2-ol
CID 23996910
3-[(2-hydroxy-4-methylpentyl)amino]-4-nitrobenzamide
CID 107153458
3-(2,4-dinitroanilino)-1-phenylbutan-2-ol
CID 133400322
3-(4-methyl-2-nitroanilino)-1-phenylbutan-2-ol
CID 133400193
2-(3-amino-4-nitroanilino)-3-phenylpropan-1-ol
CID 106749289
N-(2-hydroxy-3-phenylpropyl)-4,5-dimethoxy-2-nitrobenzamide
CID 90534423

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol?
The IUPAC name of 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol (CID 54224879) is 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol is Nc1ccc([N+](=O)[O-])c(NCC(O)Cc2ccccc2)c1.
What is the InChIKey of 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol?
The InChIKey is QFDOATMHMPBSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-12-6-7-15(18(20)21)14(9-12)17-10-13(19)8-11-4-2-1-3-5-11/h1-7,9,13,17,19H,8,10,16H2.
What are the key properties of 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol?
1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol has a molecular weight of 287.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol is sourced from PubChem (CID 54224879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).