[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol

C15H17N3O3 — CID 28963656

IUPAC[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol
SMILESCN(CCc1ccccn1)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C15H17N3O3/c1-17(9-7-13-4-2-3-8-16-13)15-6-5-14(18(20)21)10-12(15)11-19/h2-6,8,10,19H,7,9,11H2,1H3
InChIKeyNJGLMRRBPATRDM-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.16
Rot. Bonds6

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

[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol (PubChem CID 28963656) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol
PubChem CID28963656
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol
SMILESCN(CCc1ccccn1)c1ccc([N+](=O)[O-])cc1CO
InChIInChI=1S/C15H17N3O3/c1-17(9-7-13-4-2-3-8-16-13)15-6-5-14(18(20)21)10-12(15)11-19/h2-6,8,10,19H,7,9,11H2,1H3
InChIKeyNJGLMRRBPATRDM-UHFFFAOYSA-N
XLogP2.16
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.16
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-[methyl(2-pyridin-2-ylethyl)amino]-4-nitrobenzenesulfonamide
CID 133462710
4-[methyl(2-pyridin-2-ylethyl)amino]-3-nitro-N-phenylbenzenesulfonamide
CID 9282102
[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
CID 62121542
2-(bromomethyl)-N-methyl-4-nitro-N-(2-phenylethyl)aniline
CID 107084159
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]-4-nitrophenol
CID 136730929
N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 7923071
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
[2-(dipropylamino)-5-nitrophenyl]methanol
CID 28963458
N-[1-(5-bromopyrazolo[1,5-a]pyridin-3-yl)ethylideneamino]-2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrobenzenesulfonamide
CID 75215391
[2-[(3-fluorophenyl)methyl-methylamino]-5-nitrophenyl]methanol
CID 28963677
2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol?
The IUPAC name of [2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol (CID 28963656) is [2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol.
What is the SMILES notation for [2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol?
The canonical SMILES for [2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol is CN(CCc1ccccn1)c1ccc([N+](=O)[O-])cc1CO.
What is the InChIKey of [2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol?
The InChIKey is NJGLMRRBPATRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17(9-7-13-4-2-3-8-16-13)15-6-5-14(18(20)21)10-12(15)11-19/h2-6,8,10,19H,7,9,11H2,1H3.
What are the key properties of [2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol?
[2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(2-pyridin-2-ylethyl)amino]-5-nitrophenyl]methanol is sourced from PubChem (CID 28963656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).