[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol

C11H17N3O3 — CID 122538724

IUPAC[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol
SMILESCN(C)CCNc1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-13(2)6-5-12-10-4-3-9(8-15)7-11(10)14(16)17/h3-4,7,12,15H,5-6,8H2,1-2H3
InChIKeyUFJUOKBWVPZOCM-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.06
Rot. Bonds6

About [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol

[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol (PubChem CID 122538724) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol
PubChem CID122538724
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol
SMILESCN(C)CCNc1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O3/c1-13(2)6-5-12-10-4-3-9(8-15)7-11(10)14(16)17/h3-4,7,12,15H,5-6,8H2,1-2H3
InChIKeyUFJUOKBWVPZOCM-UHFFFAOYSA-N
XLogP1.06
TPSA78.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]ethanone
CID 98016149
methyl 4-[2-(dimethylamino)ethylamino]-3-nitrobenzoate
CID 19811345
4-[[methyl(propyl)amino]methyl]-2-nitro-N-propylaniline
CID 62183615
N-(5-chloro-4-fluoro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine
CID 114089224
N-(2,4-dinitrophenyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 21209129
N-(4-bromophenyl)-4-[2-(dimethylamino)ethylamino]-3-nitrobenzamide
CID 59529894
4-[2-[4-(hydroxymethyl)phenyl]ethylamino]-3-nitrobenzonitrile
CID 133455288
4-[2-[ethyl(methyl)amino]ethylamino]-N-methyl-3-nitrobenzamide
CID 47446312
4-[2-(dimethylamino)ethylamino]-2-fluoro-5-nitrobenzoic acid
CID 113394182
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,4-dinitroaniline
CID 103952478
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol
CID 133491614

Frequently Asked Questions

What is the IUPAC name of [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol?
The IUPAC name of [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol (CID 122538724) is [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol is CN(C)CCNc1ccc(CO)cc1[N+](=O)[O-].
What is the InChIKey of [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol?
The InChIKey is UFJUOKBWVPZOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13(2)6-5-12-10-4-3-9(8-15)7-11(10)14(16)17/h3-4,7,12,15H,5-6,8H2,1-2H3.
What are the key properties of [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol?
[4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol has a molecular weight of 239.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethylamino]-3-nitrophenyl]methanol is sourced from PubChem (CID 122538724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).