2-(2-methyl-4-nitrophenyl)ethanamine

C9H12N2O2 — CID 130050826

IUPAC2-(2-methyl-4-nitrophenyl)ethanamine
SMILESCc1cc([N+](=O)[O-])ccc1CCN
InChIInChI=1S/C9H12N2O2/c1-7-6-9(11(12)13)3-2-8(7)4-5-10/h2-3,6H,4-5,10H2,1H3
InChIKeyCNBOAHUSCRRTMA-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.40
Rot. Bonds3

About 2-(2-methyl-4-nitrophenyl)ethanamine

2-(2-methyl-4-nitrophenyl)ethanamine (PubChem CID 130050826) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(2-methyl-4-nitrophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-4-nitrophenyl)ethanamine
PubChem CID130050826
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(2-methyl-4-nitrophenyl)ethanamine
SMILESCc1cc([N+](=O)[O-])ccc1CCN
InChIInChI=1S/C9H12N2O2/c1-7-6-9(11(12)13)3-2-8(7)4-5-10/h2-3,6H,4-5,10H2,1H3
InChIKeyCNBOAHUSCRRTMA-UHFFFAOYSA-N
XLogP1.40
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.40
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-(3-bromopropyl)-2-methyl-4-nitrobenzene
CID 118847726
2-(4-nitro-2-propylphenyl)ethanamine
CID 152751761
azane;2-(2-methoxy-4-nitrophenyl)ethanamine
CID 19827481
(2-methyl-4-nitrophenyl)methanesulfonamide
CID 141473969
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045
(2-methyl-4-nitrophenyl)methylcarbamic acid
CID 143383996
methyl 2-(2-methyl-4-nitrophenyl)acetate
CID 10081813
N'-methyl-N'-(2-methyl-4-nitrophenyl)propane-1,3-diamine
CID 115319475
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
(4-nitro-2-propylphenyl)methanamine
CID 152751762
2-[5-(2-methyl-4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071298
N-(2-aminoethyl)-N,2-dimethyl-4-nitrobenzamide
CID 62682941

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitrophenyl)ethanamine?
The IUPAC name of 2-(2-methyl-4-nitrophenyl)ethanamine (CID 130050826) is 2-(2-methyl-4-nitrophenyl)ethanamine.
What is the SMILES notation for 2-(2-methyl-4-nitrophenyl)ethanamine?
The canonical SMILES for 2-(2-methyl-4-nitrophenyl)ethanamine is Cc1cc([N+](=O)[O-])ccc1CCN.
What is the InChIKey of 2-(2-methyl-4-nitrophenyl)ethanamine?
The InChIKey is CNBOAHUSCRRTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-6-9(11(12)13)3-2-8(7)4-5-10/h2-3,6H,4-5,10H2,1H3.
What are the key properties of 2-(2-methyl-4-nitrophenyl)ethanamine?
2-(2-methyl-4-nitrophenyl)ethanamine has a molecular weight of 180.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitrophenyl)ethanamine is sourced from PubChem (CID 130050826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).