1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol

C15H15ClN2O3 — CID 62505763

IUPAC1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol
SMILESO=[N+]([O-])c1cccc(CNCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O3/c16-14-7-2-1-6-13(14)15(19)10-17-9-11-4-3-5-12(8-11)18(20)21/h1-8,15,17,19H,9-10H2
InChIKeyGABKZODVTNORFO-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.07
Rot. Bonds6

About 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol

1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol (PubChem CID 62505763) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol
PubChem CID62505763
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol
SMILESO=[N+]([O-])c1cccc(CNCC(O)c2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O3/c16-14-7-2-1-6-13(14)15(19)10-17-9-11-4-3-5-12(8-11)18(20)21/h1-8,15,17,19H,9-10H2
InChIKeyGABKZODVTNORFO-UHFFFAOYSA-N
XLogP3.07
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.07
H-Bond Donors ≤ 52
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-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-nitrophenol
CID 111448946
(2R)-3-[(3-nitrophenyl)methylamino]propane-1,2-diol
CID 96908585
1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
CID 60760616
N-[(4-bromo-3-chlorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 103581646
(2R)-2-[(R)-methylsulfinyl]-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 97241565
2-methyl-3-methylsulfanyl-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 63965278
2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol
CID 43499152
[2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol
CID 110906061
N'-[(3-nitrophenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442158
N-[(3-nitrophenyl)methyl]hex-5-yn-1-amine
CID 75379599
2-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]ethanamine
CID 2063812
N-[(3-nitrophenyl)methyl]pent-4-yn-1-amine
CID 115656507

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol (CID 62505763) is 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol is O=[N+]([O-])c1cccc(CNCC(O)c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol?
The InChIKey is GABKZODVTNORFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-14-7-2-1-6-13(14)15(19)10-17-9-11-4-3-5-12(8-11)18(20)21/h1-8,15,17,19H,9-10H2.
What are the key properties of 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol?
1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol has a molecular weight of 306.75 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol is sourced from PubChem (CID 62505763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).