[3-[(2-nitroanilino)methyl]phenyl]methanol

C14H14N2O3 — CID 63312075

IUPAC[3-[(2-nitroanilino)methyl]phenyl]methanol
SMILESO=[N+]([O-])c1ccccc1NCc1cccc(CO)c1
InChIInChI=1S/C14H14N2O3/c17-10-12-5-3-4-11(8-12)9-15-13-6-1-2-7-14(13)16(18)19/h1-8,15,17H,9-10H2
InChIKeyRMGUKFSTDFRTAO-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.70
Rot. Bonds5

About [3-[(2-nitroanilino)methyl]phenyl]methanol

[3-[(2-nitroanilino)methyl]phenyl]methanol (PubChem CID 63312075) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [3-[(2-nitroanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(2-nitroanilino)methyl]phenyl]methanol
PubChem CID63312075
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name[3-[(2-nitroanilino)methyl]phenyl]methanol
SMILESO=[N+]([O-])c1ccccc1NCc1cccc(CO)c1
InChIInChI=1S/C14H14N2O3/c17-10-12-5-3-4-11(8-12)9-15-13-6-1-2-7-14(13)16(18)19/h1-8,15,17H,9-10H2
InChIKeyRMGUKFSTDFRTAO-UHFFFAOYSA-N
XLogP2.70
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.70
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

[3-[(2-bromo-5-methyl-4-nitroanilino)methyl]phenyl]methanol
CID 103269471
N-[[4-(aminomethyl)phenyl]methyl]-2-nitroaniline
CID 81091139
4-[(2-nitroanilino)methyl]phenol
CID 43425831
2-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 55204093
2-[3-[(2-nitroanilino)methyl]phenoxy]acetonitrile
CID 43785457
[3-[[(6-chloro-3-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 106197113
N-[(3-bromo-4-methoxyphenyl)methyl]-2-nitroaniline
CID 43785461
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-nitroaniline
CID 33106856
4-[(2-nitroanilino)methyl]benzonitrile
CID 43718158
ethane;[3-[[2-nitro-4-(1,2-oxazolidin-2-ylmethyl)anilino]methyl]phenyl]methanol
CID 162439606
[3-[(3-nitrophenyl)methylamino]phenyl]methanol
CID 43231446
N-[(4-cyclopropylphenyl)methyl]-2-nitroaniline
CID 79970017

Frequently Asked Questions

What is the IUPAC name of [3-[(2-nitroanilino)methyl]phenyl]methanol?
The IUPAC name of [3-[(2-nitroanilino)methyl]phenyl]methanol (CID 63312075) is [3-[(2-nitroanilino)methyl]phenyl]methanol.
What is the SMILES notation for [3-[(2-nitroanilino)methyl]phenyl]methanol?
The canonical SMILES for [3-[(2-nitroanilino)methyl]phenyl]methanol is O=[N+]([O-])c1ccccc1NCc1cccc(CO)c1.
What is the InChIKey of [3-[(2-nitroanilino)methyl]phenyl]methanol?
The InChIKey is RMGUKFSTDFRTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-10-12-5-3-4-11(8-12)9-15-13-6-1-2-7-14(13)16(18)19/h1-8,15,17H,9-10H2.
What are the key properties of [3-[(2-nitroanilino)methyl]phenyl]methanol?
[3-[(2-nitroanilino)methyl]phenyl]methanol has a molecular weight of 258.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-nitroanilino)methyl]phenyl]methanol is sourced from PubChem (CID 63312075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).