[2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol

C15H16N2O3 — CID 110906061

IUPAC[2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(CNCc2ccccc2CO)c1
InChIInChI=1S/C15H16N2O3/c18-11-14-6-2-1-5-13(14)10-16-9-12-4-3-7-15(8-12)17(19)20/h1-8,16,18H,9-11H2
InChIKeyODHPFCNGRICKLS-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.38
Rot. Bonds6

About [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol

[2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol (PubChem CID 110906061) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol
PubChem CID110906061
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol
SMILESO=[N+]([O-])c1cccc(CNCc2ccccc2CO)c1
InChIInChI=1S/C15H16N2O3/c18-11-14-6-2-1-5-13(14)10-16-9-12-4-3-7-15(8-12)17(19)20/h1-8,16,18H,9-11H2
InChIKeyODHPFCNGRICKLS-UHFFFAOYSA-N
XLogP2.38
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.38
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'}

Analyze [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 61401551
N-[(2-chloro-3-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115982839
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
N-[[2-(hydroxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 110902363
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115762160
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 104791766
(2R)-3-[(3-nitrophenyl)methylamino]propane-1,2-diol
CID 96908585
N-[(3,4-dibromophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115693133
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 66160947
N-[(4-fluoro-2-methylphenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 62503677
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 60962410
[3-[(3-nitrophenyl)methylamino]phenyl]methanol
CID 43231446

Frequently Asked Questions

What is the IUPAC name of [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol (CID 110906061) is [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol is O=[N+]([O-])c1cccc(CNCc2ccccc2CO)c1.
What is the InChIKey of [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol?
The InChIKey is ODHPFCNGRICKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-11-14-6-2-1-5-13(14)10-16-9-12-4-3-7-15(8-12)17(19)20/h1-8,16,18H,9-11H2.
What are the key properties of [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol?
[2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol has a molecular weight of 272.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-nitrophenyl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 110906061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).