2-(4-nitro-2-propylphenyl)ethanamine

C11H16N2O2 — CID 152751761

IUPAC2-(4-nitro-2-propylphenyl)ethanamine
SMILESCCCc1cc([N+](=O)[O-])ccc1CCN
InChIInChI=1S/C11H16N2O2/c1-2-3-10-8-11(13(14)15)5-4-9(10)6-7-12/h4-5,8H,2-3,6-7,12H2,1H3
InChIKeyRJBHBLZMYVVHGI-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.05
Rot. Bonds5

About 2-(4-nitro-2-propylphenyl)ethanamine

2-(4-nitro-2-propylphenyl)ethanamine (PubChem CID 152751761) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-nitro-2-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-nitro-2-propylphenyl)ethanamine
PubChem CID152751761
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(4-nitro-2-propylphenyl)ethanamine
SMILESCCCc1cc([N+](=O)[O-])ccc1CCN
InChIInChI=1S/C11H16N2O2/c1-2-3-10-8-11(13(14)15)5-4-9(10)6-7-12/h4-5,8H,2-3,6-7,12H2,1H3
InChIKeyRJBHBLZMYVVHGI-UHFFFAOYSA-N
XLogP2.05
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.05
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-nitro-2-propylphenyl)methanamine
CID 152751762
4-nitro-2-propylaniline
CID 21492038
2-(2-methyl-4-nitrophenyl)ethanamine
CID 130050826
azane;2-(2-methoxy-4-nitrophenyl)ethanamine
CID 19827481
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
4-nitro-2-propylbenzoyl bromide
CID 22920954
2-fluoro-4-nitro-1-prop-2-enylbenzene;3-fluoro-4-propylaniline
CID 157429594
1-(5-nitro-2-propylphenyl)butan-1-one
CID 71011848
bis(propan-1-amine);1,3,5-trinitrobenzene
CID 71444758
2-[4-nitro-2-(2-sulfoethyl)phenyl]ethanesulfonic acid
CID 87256026
2-[2-[3-(2-aminoethylamino)propyl]-5-nitrophenyl]ethanol
CID 87779801
2-ethyl-4-nitrobenzonitrile
CID 67236310

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitro-2-propylphenyl)ethanamine?
The IUPAC name of 2-(4-nitro-2-propylphenyl)ethanamine (CID 152751761) is 2-(4-nitro-2-propylphenyl)ethanamine.
What is the SMILES notation for 2-(4-nitro-2-propylphenyl)ethanamine?
The canonical SMILES for 2-(4-nitro-2-propylphenyl)ethanamine is CCCc1cc([N+](=O)[O-])ccc1CCN.
What is the InChIKey of 2-(4-nitro-2-propylphenyl)ethanamine?
The InChIKey is RJBHBLZMYVVHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-10-8-11(13(14)15)5-4-9(10)6-7-12/h4-5,8H,2-3,6-7,12H2,1H3.
What are the key properties of 2-(4-nitro-2-propylphenyl)ethanamine?
2-(4-nitro-2-propylphenyl)ethanamine has a molecular weight of 208.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-2-propylphenyl)ethanamine is sourced from PubChem (CID 152751761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).