[2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol

C14H22N2O3 — CID 79477661

IUPAC[2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol
SMILESCCC(C)CN(CC)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C14H22N2O3/c1-4-11(3)9-15(5-2)14-7-6-13(16(18)19)8-12(14)10-17/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyRGOVXUDRROUCGS-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.96
Rot. Bonds7

About [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol

[2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol (PubChem CID 79477661) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol
PubChem CID79477661
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol
SMILESCCC(C)CN(CC)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C14H22N2O3/c1-4-11(3)9-15(5-2)14-7-6-13(16(18)19)8-12(14)10-17/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyRGOVXUDRROUCGS-UHFFFAOYSA-N
XLogP2.96
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.96
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-[butan-2-yl(ethyl)amino]-5-nitrophenyl]methanol
CID 43274743
[2-[butyl(ethyl)amino]-5-nitrophenyl]methanol
CID 28963508
[2-(dipropylamino)-5-nitrophenyl]methanol
CID 28963458
2-(chloromethyl)-N,N-diethyl-4-nitroaniline
CID 28964274
[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
CID 43265160
(5-nitro-2-propan-2-ylphenyl)methanol
CID 118268647
2-[[ethyl(2-methylbutyl)amino]methyl]-N-methyl-4-nitroaniline
CID 79481333
2-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-chloro-N-ethyl-N-(2-methylbutyl)-4-nitrobenzamide
CID 79480486
N,N-diethyl-2-fluoro-4-nitroaniline
CID 67995604
(E)-3-[2-[methyl(2-methylbutyl)amino]-5-nitrophenyl]prop-2-enoic acid
CID 43296135
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114055099

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol?
The IUPAC name of [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol (CID 79477661) is [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol is CCC(C)CN(CC)c1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol?
The InChIKey is RGOVXUDRROUCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-11(3)9-15(5-2)14-7-6-13(16(18)19)8-12(14)10-17/h6-8,11,17H,4-5,9-10H2,1-3H3.
What are the key properties of [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol?
[2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol has a molecular weight of 266.34 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol is sourced from PubChem (CID 79477661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).