[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol

C11H14N2O3 — CID 43265160

IUPAC[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
SMILESCN(c1ccc([N+](=O)[O-])cc1CO)C1CC1
InChIInChI=1S/C11H14N2O3/c1-12(9-2-3-9)11-5-4-10(13(15)16)6-8(11)7-14/h4-6,9,14H,2-3,7H2,1H3
InChIKeyKEWPBOANSCIODM-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.69
Rot. Bonds4

About [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol

[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol (PubChem CID 43265160) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
PubChem CID43265160
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
SMILESCN(c1ccc([N+](=O)[O-])cc1CO)C1CC1
InChIInChI=1S/C11H14N2O3/c1-12(9-2-3-9)11-5-4-10(13(15)16)6-8(11)7-14/h4-6,9,14H,2-3,7H2,1H3
InChIKeyKEWPBOANSCIODM-UHFFFAOYSA-N
XLogP1.69
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
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-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol
CID 62547499
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279
2-[methyl-(4-methylcyclohexyl)amino]-5-nitrobenzonitrile
CID 40677282
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
[2-[methyl(oxolan-2-ylmethyl)amino]-5-nitrophenyl]methanol
CID 61431805
[2-(dipropylamino)-5-nitrophenyl]methanol
CID 28963458
[2-[butan-2-yl(ethyl)amino]-5-nitrophenyl]methanol
CID 43274743
[2-[4-(dimethylamino)piperidin-1-yl]-5-nitrophenyl]methanol
CID 43586230
2-[cyclopentyl(methyl)amino]-5-nitrobenzoic acid
CID 43213288
[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol
CID 105415671
2-[(dimethylamino)methyl]-N,N-dimethyl-4-nitroaniline
CID 69081137
[2-[ethyl(2-methylbutyl)amino]-5-nitrophenyl]methanol
CID 79477661

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol?
The IUPAC name of [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol (CID 43265160) is [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol is CN(c1ccc([N+](=O)[O-])cc1CO)C1CC1.
What is the InChIKey of [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol?
The InChIKey is KEWPBOANSCIODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12(9-2-3-9)11-5-4-10(13(15)16)6-8(11)7-14/h4-6,9,14H,2-3,7H2,1H3.
What are the key properties of [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol?
[2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol has a molecular weight of 222.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol is sourced from PubChem (CID 43265160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).