1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine

C17H20N2O2 — CID 43825094

IUPAC1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1cc([N+](=O)[O-])cc(C)c1C
InChIInChI=1S/C17H20N2O2/c1-11-6-4-5-7-14(11)9-17(18)16-10-15(19(20)21)8-12(2)13(16)3/h4-8,10,17H,9,18H2,1-3H3
InChIKeyJXHFTYBTYVHVLX-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.76
Rot. Bonds4

About 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine

1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine (PubChem CID 43825094) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
PubChem CID43825094
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1cc([N+](=O)[O-])cc(C)c1C
InChIInChI=1S/C17H20N2O2/c1-11-6-4-5-7-14(11)9-17(18)16-10-15(19(20)21)8-12(2)13(16)3/h4-8,10,17H,9,18H2,1-3H3
InChIKeyJXHFTYBTYVHVLX-UHFFFAOYSA-N
XLogP3.76
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.76
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-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825307
(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825087
(3-chlorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825064
2,3-dihydro-1-benzofuran-2-yl-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825096
(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine
CID 43825081
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanamine
CID 43109344
3-N-methyl-3-N-[(2-methylphenyl)methyl]-5-nitrobenzene-1,3-diamine
CID 80794592
1-methyl-2-[(3-nitrophenyl)methyl]benzene
CID 174546856
1-(2,3-dimethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377287
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 62504909
2-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61078535

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine (CID 43825094) is 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine is Cc1ccccc1CC(N)c1cc([N+](=O)[O-])cc(C)c1C.
What is the InChIKey of 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine?
The InChIKey is JXHFTYBTYVHVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-6-4-5-7-14(11)9-17(18)16-10-15(19(20)21)8-12(2)13(16)3/h4-8,10,17H,9,18H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine?
1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine has a molecular weight of 284.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 43825094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).