1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine

C16H18N2O2 — CID 43825307

IUPAC1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C16H18N2O2/c1-11-5-3-4-6-13(11)9-16(17)15-10-14(18(19)20)8-7-12(15)2/h3-8,10,16H,9,17H2,1-2H3
InChIKeyQYBOLMQRRAVLNL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.45
Rot. Bonds4

About 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine

1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine (PubChem CID 43825307) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
PubChem CID43825307
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C16H18N2O2/c1-11-5-3-4-6-13(11)9-16(17)15-10-14(18(19)20)8-7-12(15)2/h3-8,10,16H,9,17H2,1-2H3
InChIKeyQYBOLMQRRAVLNL-UHFFFAOYSA-N
XLogP3.45
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.45
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'}

Analyze 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine 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

1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825094
(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825316
(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43825315
ethane;1-methyl-4-nitro-2-propan-2-ylbenzene
CID 143798410
1-methyl-2-[2-(2-methyl-5-nitrophenyl)ethyl]-4-nitrobenzene
CID 22217045
(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825297
(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine
CID 43825641
2-[(1S)-1-chloroethyl]-1-methyl-4-nitrobenzene
CID 97184321
1-methyl-2-[(3-nitrophenyl)methyl]benzene
CID 174546856
1-methyl-2,4-dinitrobenzene;1,2-xylene
CID 88735463
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
2-(2-iodo-4-nitrophenyl)-1-phenylethanamine
CID 66092891

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine (CID 43825307) is 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1CC(N)c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is QYBOLMQRRAVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-5-3-4-6-13(11)9-16(17)15-10-14(18(19)20)8-7-12(15)2/h3-8,10,16H,9,17H2,1-2H3.
What are the key properties of 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine?
1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 270.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43825307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).