[4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol

C15H16N2O3 — CID 107232360

IUPAC[4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol
SMILESCc1ccc([N+](=O)[O-])c(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H16N2O3/c1-11-2-7-15(17(19)20)14(8-11)16-9-12-3-5-13(10-18)6-4-12/h2-8,16,18H,9-10H2,1H3
InChIKeyGDFRIXGKHDOJGX-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.01
Rot. Bonds5

About [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol

[4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol (PubChem CID 107232360) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol
PubChem CID107232360
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol
SMILESCc1ccc([N+](=O)[O-])c(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H16N2O3/c1-11-2-7-15(17(19)20)14(8-11)16-9-12-3-5-13(10-18)6-4-12/h2-8,16,18H,9-10H2,1H3
InChIKeyGDFRIXGKHDOJGX-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
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

CID 89060793
CID 89060793
2-bromo-4-[(5-methyl-2-nitroanilino)methyl]phenol
CID 115715963
4-methyl-2-[(5-methyl-2-nitroanilino)methyl]phenol
CID 115912338
5-methyl-2-nitro-N-(pyrimidin-5-ylmethyl)aniline
CID 112557598
N-(1H-indol-6-ylmethyl)-5-methyl-2-nitroaniline
CID 102911772
5-methyl-2-nitro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 115912414
4-bromo-2-[(5-methyl-2-nitroanilino)methyl]phenol
CID 107737999
N-[(4-chlorophenyl)methyl]-4-methyl-2-nitroaniline
CID 43349332
2,5-dimethyl-N-[(4-nitrophenyl)methyl]aniline
CID 1133059
2-chloro-N-[(4-chloro-3-nitrophenyl)methyl]-5-methylaniline
CID 107634704
[3-[(1-methylcyclobutyl)methylamino]-4-nitrophenyl]methanol
CID 133438235
5-methyl-N-(2-methylpropyl)-2-nitroaniline
CID 75356397

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol (CID 107232360) is [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol is Cc1ccc([N+](=O)[O-])c(NCc2ccc(CO)cc2)c1.
What is the InChIKey of [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol?
The InChIKey is GDFRIXGKHDOJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-2-7-15(17(19)20)14(8-11)16-9-12-3-5-13(10-18)6-4-12/h2-8,16,18H,9-10H2,1H3.
What are the key properties of [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol?
[4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol has a molecular weight of 272.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-2-nitroanilino)methyl]phenyl]methanol is sourced from PubChem (CID 107232360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).