2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine

C15H16N2O2 — CID 82039501

IUPAC2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine
SMILESCc1ccc([N+](=O)[O-])c(-c2ccc(CCN)cc2)c1
InChIInChI=1S/C15H16N2O2/c1-11-2-7-15(17(18)19)14(10-11)13-5-3-12(4-6-13)8-9-16/h2-7,10H,8-9,16H2,1H3
InChIKeySVYIIVQFUOXZNO-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.07
Rot. Bonds4

About 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine

2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine (PubChem CID 82039501) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine
PubChem CID82039501
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine
SMILESCc1ccc([N+](=O)[O-])c(-c2ccc(CCN)cc2)c1
InChIInChI=1S/C15H16N2O2/c1-11-2-7-15(17(18)19)14(10-11)13-5-3-12(4-6-13)8-9-16/h2-7,10H,8-9,16H2,1H3
InChIKeySVYIIVQFUOXZNO-UHFFFAOYSA-N
XLogP3.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.07
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

4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
N-[[4-(2-aminoethyl)phenyl]methyl]-4-methyl-2-nitroaniline
CID 62502846
3-(4-methylphenyl)-4-nitrophenol
CID 45098062
2-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65462851
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
2-(5-methyl-2-nitrophenyl)dibenzo-p-dioxin
CID 144942949
2-[4-(3-nitrophenyl)phenyl]ethanamine
CID 54428619
2-aminoethanol;4-methyl-2-nitroaniline
CID 22061887
2-[4-chloro-3-(4-methylphenyl)phenyl]ethanamine
CID 115045738
2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride
CID 178200982
[2-(5-methyl-2-nitrophenyl)-1,3-oxazol-4-yl]methanamine
CID 65461245
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine (CID 82039501) is 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine is Cc1ccc([N+](=O)[O-])c(-c2ccc(CCN)cc2)c1.
What is the InChIKey of 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine?
The InChIKey is SVYIIVQFUOXZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-2-7-15(17(18)19)14(10-11)13-5-3-12(4-6-13)8-9-16/h2-7,10H,8-9,16H2,1H3.
What are the key properties of 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine?
2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-2-nitrophenyl)phenyl]ethanamine is sourced from PubChem (CID 82039501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).