[2-(dipropylamino)-5-nitrophenyl]methanol

C13H20N2O3 — CID 28963458

IUPAC[2-(dipropylamino)-5-nitrophenyl]methanol
SMILESCCCN(CCC)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C13H20N2O3/c1-3-7-14(8-4-2)13-6-5-12(15(17)18)9-11(13)10-16/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyHBNKLBBKPICWRO-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.71
Rot. Bonds7

About [2-(dipropylamino)-5-nitrophenyl]methanol

[2-(dipropylamino)-5-nitrophenyl]methanol (PubChem CID 28963458) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [2-(dipropylamino)-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-(dipropylamino)-5-nitrophenyl]methanol
PubChem CID28963458
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[2-(dipropylamino)-5-nitrophenyl]methanol
SMILESCCCN(CCC)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C13H20N2O3/c1-3-7-14(8-4-2)13-6-5-12(15(17)18)9-11(13)10-16/h5-6,9,16H,3-4,7-8,10H2,1-2H3
InChIKeyHBNKLBBKPICWRO-UHFFFAOYSA-N
XLogP2.71
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

[2-[butyl(ethyl)amino]-5-nitrophenyl]methanol
CID 28963508
2-(2,4-dinitro-N-propylanilino)ethanol
CID 61425574
[2-[butan-2-yl(ethyl)amino]-5-nitrophenyl]methanol
CID 43274743
[2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol
CID 79477661
N,N-dibutyl-2-(chloromethyl)-4-nitroaniline
CID 28983405
[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
CID 43265160
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-(chloromethyl)-N,N-diethyl-4-nitroaniline
CID 28964274
(2-iodo-5-nitrophenyl)methanol
CID 118269742
N,N-dibutyl-2,4-dinitroaniline
CID 15758071
N-ethyl-2,4-dinitro-N-propylaniline;yttrium
CID 59325886
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279

Frequently Asked Questions

What is the IUPAC name of [2-(dipropylamino)-5-nitrophenyl]methanol?
The IUPAC name of [2-(dipropylamino)-5-nitrophenyl]methanol (CID 28963458) is [2-(dipropylamino)-5-nitrophenyl]methanol.
What is the SMILES notation for [2-(dipropylamino)-5-nitrophenyl]methanol?
The canonical SMILES for [2-(dipropylamino)-5-nitrophenyl]methanol is CCCN(CCC)c1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of [2-(dipropylamino)-5-nitrophenyl]methanol?
The InChIKey is HBNKLBBKPICWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-7-14(8-4-2)13-6-5-12(15(17)18)9-11(13)10-16/h5-6,9,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of [2-(dipropylamino)-5-nitrophenyl]methanol?
[2-(dipropylamino)-5-nitrophenyl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dipropylamino)-5-nitrophenyl]methanol is sourced from PubChem (CID 28963458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).