2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine

C14H20N2O2 — CID 115667947

IUPAC2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
SMILESCC(NCC(C)C1CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O2/c1-10(12-6-7-12)9-15-11(2)13-4-3-5-14(8-13)16(17)18/h3-5,8,10-12,15H,6-7,9H2,1-2H3
InChIKeyFEOPILGEQMUBAX-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.29
Rot. Bonds6

About 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine

2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine (PubChem CID 115667947) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
PubChem CID115667947
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
SMILESCC(NCC(C)C1CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H20N2O2/c1-10(12-6-7-12)9-15-11(2)13-4-3-5-14(8-13)16(17)18/h3-5,8,10-12,15H,6-7,9H2,1-2H3
InChIKeyFEOPILGEQMUBAX-UHFFFAOYSA-N
XLogP3.29
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.29
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

N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
2-N,2-N,3-trimethyl-1-N-[1-(3-nitrophenyl)ethyl]butane-1,2-diamine
CID 43205589
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 103716993
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665
N-[(1S)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608661
1-(3-nitrophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 115900293
2-[1-(3-nitrophenyl)ethylamino]ethanol
CID 43089007
N-[2-[1-(3-nitrophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115574213
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
N-[(5-methyloxolan-2-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 82835445
N-[1-(3-nitrophenyl)ethyl]butan-1-amine
CID 43180605
(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 81387591

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine (CID 115667947) is 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine is CC(NCC(C)C1CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
The InChIKey is FEOPILGEQMUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(12-6-7-12)9-15-11(2)13-4-3-5-14(8-13)16(17)18/h3-5,8,10-12,15H,6-7,9H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine?
2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115667947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).