(4-methyl-3-nitrophenyl)methanamine

C8H10N2O2 — CID 18468134

IUPAC(4-methyl-3-nitrophenyl)methanamine
SMILESCc1ccc(CN)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,5,9H2,1H3
InChIKeySYGIBQOBTAYVCA-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.36
Rot. Bonds2

About (4-methyl-3-nitrophenyl)methanamine

(4-methyl-3-nitrophenyl)methanamine (PubChem CID 18468134) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (4-methyl-3-nitrophenyl)methanamine.

Molecular Properties

Compound Name(4-methyl-3-nitrophenyl)methanamine
PubChem CID18468134
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(4-methyl-3-nitrophenyl)methanamine
SMILESCc1ccc(CN)cc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,5,9H2,1H3
InChIKeySYGIBQOBTAYVCA-UHFFFAOYSA-N
XLogP1.36
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-methyl-2-nitro-4-(nitromethyl)benzene
CID 14871716
N,N-dimethyl-1-(4-methyl-3-nitrophenyl)methanamine
CID 58723694
1,4-dimethyl-2-nitrobenzene
CID 20849377
N'-[(4-methyl-3-nitrophenyl)methyl]butane-1,4-diamine
CID 60895806
(3-ethyl-4-nitrophenyl)methanamine
CID 168908904
methyl-methylidene-[(4-methyl-3-nitrophenyl)methyl]-λ4-sulfane
CID 148599913
(4-methyl-3-nitrophenyl)methyl methanesulfonate
CID 20800288
1-[(4-methyl-3-nitrophenyl)methyl]pyrrole-2,5-dione
CID 102248981
2-[2-[(4-methyl-3-nitrophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 83969660
[3-(4-bromo-2-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407397
[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 114417368
1-(4-methyl-3-nitrophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720069

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-nitrophenyl)methanamine?
The IUPAC name of (4-methyl-3-nitrophenyl)methanamine (CID 18468134) is (4-methyl-3-nitrophenyl)methanamine.
What is the SMILES notation for (4-methyl-3-nitrophenyl)methanamine?
The canonical SMILES for (4-methyl-3-nitrophenyl)methanamine is Cc1ccc(CN)cc1[N+](=O)[O-].
What is the InChIKey of (4-methyl-3-nitrophenyl)methanamine?
The InChIKey is SYGIBQOBTAYVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,5,9H2,1H3.
What are the key properties of (4-methyl-3-nitrophenyl)methanamine?
(4-methyl-3-nitrophenyl)methanamine has a molecular weight of 166.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-nitrophenyl)methanamine is sourced from PubChem (CID 18468134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).