[3-[(3-nitrophenyl)methylamino]phenyl]methanol

C14H14N2O3 — CID 43231446

IUPAC[3-[(3-nitrophenyl)methylamino]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(CNc2cccc(CO)c2)c1
InChIInChI=1S/C14H14N2O3/c17-10-12-4-1-5-13(7-12)15-9-11-3-2-6-14(8-11)16(18)19/h1-8,15,17H,9-10H2
InChIKeyJWZOTOAJUUQDNG-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.70
Rot. Bonds5

About [3-[(3-nitrophenyl)methylamino]phenyl]methanol

[3-[(3-nitrophenyl)methylamino]phenyl]methanol (PubChem CID 43231446) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is [3-[(3-nitrophenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3-nitrophenyl)methylamino]phenyl]methanol
PubChem CID43231446
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name[3-[(3-nitrophenyl)methylamino]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(CNc2cccc(CO)c2)c1
InChIInChI=1S/C14H14N2O3/c17-10-12-4-1-5-13(7-12)15-9-11-3-2-6-14(8-11)16(18)19/h1-8,15,17H,9-10H2
InChIKeyJWZOTOAJUUQDNG-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-[(3-nitrophenyl)methylamino]phenyl]carbamic acid
CID 66880539
[3-[(3-nitrophenyl)methylamino]phenyl]urea
CID 43744457
3-nitro-N-[(4-nitrophenyl)methyl]aniline
CID 9274128
3,4-dimethoxy-N-[(3-nitrophenyl)methyl]aniline
CID 28575174
N-[(3,4-difluorophenyl)methyl]-3-nitroaniline
CID 43425288
3-bromo-4-fluoro-N-[(3-nitrophenyl)methyl]aniline
CID 115650290
4-bromo-3,5-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 107571686
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
N-[(4-tert-butylphenyl)methyl]-3-nitroaniline
CID 43425281
3-methylsulfonyl-4-nitro-N-[(3-nitrophenyl)methyl]aniline
CID 133405077
4-nitro-N-[(3-nitrophenyl)methyl]-3-(trifluoromethyl)aniline
CID 133282731
2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
CID 62327157

Frequently Asked Questions

What is the IUPAC name of [3-[(3-nitrophenyl)methylamino]phenyl]methanol?
The IUPAC name of [3-[(3-nitrophenyl)methylamino]phenyl]methanol (CID 43231446) is [3-[(3-nitrophenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [3-[(3-nitrophenyl)methylamino]phenyl]methanol?
The canonical SMILES for [3-[(3-nitrophenyl)methylamino]phenyl]methanol is O=[N+]([O-])c1cccc(CNc2cccc(CO)c2)c1.
What is the InChIKey of [3-[(3-nitrophenyl)methylamino]phenyl]methanol?
The InChIKey is JWZOTOAJUUQDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-10-12-4-1-5-13(7-12)15-9-11-3-2-6-14(8-11)16(18)19/h1-8,15,17H,9-10H2.
What are the key properties of [3-[(3-nitrophenyl)methylamino]phenyl]methanol?
[3-[(3-nitrophenyl)methylamino]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-[(3-nitrophenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 43231446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).