2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol

C15H15ClN2O3 — CID 43499152

IUPAC2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(Cl)c(CNCC(O)c2ccccc2)c1
InChIInChI=1S/C15H15ClN2O3/c16-14-7-6-13(18(20)21)8-12(14)9-17-10-15(19)11-4-2-1-3-5-11/h1-8,15,17,19H,9-10H2
InChIKeySCYVKFJTNZSVFQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.07
Rot. Bonds6

About 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol

2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol (PubChem CID 43499152) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol
PubChem CID43499152
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(Cl)c(CNCC(O)c2ccccc2)c1
InChIInChI=1S/C15H15ClN2O3/c16-14-7-6-13(18(20)21)8-12(14)9-17-10-15(19)11-4-2-1-3-5-11/h1-8,15,17,19H,9-10H2
InChIKeySCYVKFJTNZSVFQ-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

1-[(2-chloro-5-nitrophenyl)methylamino]-3-methylbutan-2-ol
CID 111421866
2-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]-4-nitrophenol
CID 111448946
N-[(2-chloro-5-nitrophenyl)methyl]-2-phenylsulfanylethanamine
CID 60975333
2-[[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]-4-nitrophenol
CID 95567499
N-[(2-chloro-5-nitrophenyl)methyl]propan-1-amine
CID 43462195
[4-[[(2-chloro-5-nitrophenyl)methylamino]methyl]phenyl]methanol
CID 107229990
2-[(2-methyl-3-nitrophenyl)methylamino]-1-phenylethanol
CID 43509086
2-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 112796140
2-[(2-chloro-4-fluorophenyl)methylamino]-1-phenylethanol
CID 43393572
(1S)-2-(2,4-dinitroanilino)-1-phenylethanol
CID 9311814
(1R)-2-(3,4-dichloroanilino)-1-(4-nitrophenyl)ethanol
CID 6991040
N-[(2-chloro-5-nitrophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43462250

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol (CID 43499152) is 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol is O=[N+]([O-])c1ccc(Cl)c(CNCC(O)c2ccccc2)c1.
What is the InChIKey of 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol?
The InChIKey is SCYVKFJTNZSVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-14-7-6-13(18(20)21)8-12(14)9-17-10-15(19)11-4-2-1-3-5-11/h1-8,15,17,19H,9-10H2.
What are the key properties of 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol?
2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol 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 2-[(2-chloro-5-nitrophenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 43499152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).