[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol

C15H23N3O3 — CID 105415671

IUPAC[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol
SMILESCN(CC1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C15H23N3O3/c1-16(2)15(7-4-8-15)11-17(3)14-6-5-13(18(20)21)9-12(14)10-19/h5-6,9,19H,4,7-8,10-11H2,1-3H3
InChIKeyFKKWXGPQDLGBDH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.01
Rot. Bonds6

About [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol

[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol (PubChem CID 105415671) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol
PubChem CID105415671
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol
SMILESCN(CC1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C15H23N3O3/c1-16(2)15(7-4-8-15)11-17(3)14-6-5-13(18(20)21)9-12(14)10-19/h5-6,9,19H,4,7-8,10-11H2,1-3H3
InChIKeyFKKWXGPQDLGBDH-UHFFFAOYSA-N
XLogP2.01
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[cyclopropyl(methyl)amino]-5-nitrophenyl]methanol
CID 43265160
[2-[methyl(oxolan-2-ylmethyl)amino]-5-nitrophenyl]methanol
CID 61431805
[2-(dipropylamino)-5-nitrophenyl]methanol
CID 28963458
[2-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitrophenyl]methanol
CID 62547499
[2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol
CID 28963677
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-2-nitroaniline
CID 105419880
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279
[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol
CID 28963656
[2-[butan-2-yl(ethyl)amino]-5-nitrophenyl]methanol
CID 43274743
2-[2-[ethyl(methyl)amino]-5-nitrophenyl]acetaldehyde
CID 143412707
[2-[butyl(ethyl)amino]-5-nitrophenyl]methanol
CID 28963508
(5-nitro-2-propan-2-ylphenyl)methanol
CID 118268647

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol?
The IUPAC name of [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol (CID 105415671) is [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol is CN(CC1(N(C)C)CCC1)c1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol?
The InChIKey is FKKWXGPQDLGBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-16(2)15(7-4-8-15)11-17(3)14-6-5-13(18(20)21)9-12(14)10-19/h5-6,9,19H,4,7-8,10-11H2,1-3H3.
What are the key properties of [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol?
[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol has a molecular weight of 293.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-nitrophenyl]methanol is sourced from PubChem (CID 105415671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).