3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol

C15H16N2O3 — CID 43748437

IUPAC3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol
SMILESCC(NCc1ccccc1[N+](=O)[O-])c1cccc(O)c1
InChIInChI=1S/C15H16N2O3/c1-11(12-6-4-7-14(18)9-12)16-10-13-5-2-3-8-15(13)17(19)20/h2-9,11,16,18H,10H2,1H3
InChIKeyGUHNQEWSLZCLGF-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.15
Rot. Bonds5

About 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol

3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol (PubChem CID 43748437) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol
PubChem CID43748437
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol
SMILESCC(NCc1ccccc1[N+](=O)[O-])c1cccc(O)c1
InChIInChI=1S/C15H16N2O3/c1-11(12-6-4-7-14(18)9-12)16-10-13-5-2-3-8-15(13)17(19)20/h2-9,11,16,18H,10H2,1H3
InChIKeyGUHNQEWSLZCLGF-UHFFFAOYSA-N
XLogP3.15
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.15
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

(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
(1R)-1-(3-bromophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 81371840
1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43223746
N-[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]acetamide
CID 66417848
(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81371261
(1R)-1-(3-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81352544
N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine
CID 30789921
N-[(4-bromo-2-nitrophenyl)methyl]-1-phenylethanamine
CID 114380935
(1S)-N-[(4-bromo-2-nitrophenyl)methyl]-1-phenylethanamine
CID 104916334
N-[(2-bromophenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60942332
N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181334
(1R)-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648797

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol?
The IUPAC name of 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol (CID 43748437) is 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol is CC(NCc1ccccc1[N+](=O)[O-])c1cccc(O)c1.
What is the InChIKey of 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol?
The InChIKey is GUHNQEWSLZCLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11(12-6-4-7-14(18)9-12)16-10-13-5-2-3-8-15(13)17(19)20/h2-9,11,16,18H,10H2,1H3.
What are the key properties of 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol?
3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol has a molecular weight of 272.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-nitrophenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 43748437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).