(1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol

C15H17N3O3 — CID 63370919

IUPAC(1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-11(19)12-6-7-14(15(9-12)18(20)21)17(2)10-13-5-3-4-8-16-13/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyKSLRKEIAQWJBRG-LLVKDONJSA-N
MW287.32 g/mol
LogP2.68
Rot. Bonds5

About (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol

(1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol (PubChem CID 63370919) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol
PubChem CID63370919
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-11(19)12-6-7-14(15(9-12)18(20)21)17(2)10-13-5-3-4-8-16-13/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyKSLRKEIAQWJBRG-LLVKDONJSA-N
XLogP2.68
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', '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

(1R)-1-[4-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-nitrophenyl]ethanol
CID 63372740
1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanone
CID 43565070
(1R)-1-[3-bromo-4-[methyl(pyridin-2-ylmethyl)amino]phenyl]ethanol
CID 55183198
1-[4-[methyl(propyl)amino]-3-nitrophenyl]ethanol
CID 43506171
(1S)-1-[4-[methyl(propyl)amino]-3-nitrophenyl]ethanol
CID 78939538
1-[5-[methyl(pyridin-2-ylmethyl)amino]-4-nitrothiophen-2-yl]ethanol
CID 115964376
(1S)-1-[4-[methyl(thiophen-2-ylmethyl)amino]-3-nitrophenyl]ethanol
CID 78939622
1-[4-[methyl(thiophen-2-ylmethyl)amino]-3-nitrophenyl]ethanol
CID 43527708
(1R)-1-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-3-nitrophenyl]ethanol
CID 78952529
(1S)-1-[4-[2-methoxyethyl(methyl)amino]-3-nitrophenyl]ethanol
CID 78940068
(1R)-1-[4-[2-methoxyethyl(methyl)amino]-3-nitrophenyl]ethanol
CID 63371360
(1R)-1-[4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-nitrophenyl]ethanol
CID 63371163

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol (CID 63370919) is (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol is C[C@@H](O)c1ccc(N(C)Cc2ccccn2)c([N+](=O)[O-])c1.
What is the InChIKey of (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol?
The InChIKey is KSLRKEIAQWJBRG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11(19)12-6-7-14(15(9-12)18(20)21)17(2)10-13-5-3-4-8-16-13/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol?
(1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol has a molecular weight of 287.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[methyl(pyridin-2-ylmethyl)amino]-3-nitrophenyl]ethanol is sourced from PubChem (CID 63370919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).