(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine

C15H22N2O2 — CID 81385572

IUPAC(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-13)16-12(2)14-9-5-6-10-15(14)17(18)19/h5-6,9-13,16H,3-4,7-8H2,1-2H3/t11-,12?/m0/s1
InChIKeyOIPPLYXMWAXAJR-PXYINDEMSA-N
MW262.35 g/mol
LogP3.82
Rot. Bonds5

About (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine

(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine (PubChem CID 81385572) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
PubChem CID81385572
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-13)16-12(2)14-9-5-6-10-15(14)17(18)19/h5-6,9-13,16H,3-4,7-8H2,1-2H3/t11-,12?/m0/s1
InChIKeyOIPPLYXMWAXAJR-PXYINDEMSA-N
XLogP3.82
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.82
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-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
(R)-cyclopentyl-(2-nitrophenyl)methanol
CID 125472167
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
CID 43298232
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
(1R)-1-cyclohexyl-N-[(2-nitrophenyl)methyl]ethanamine
CID 81384906
3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 43751277

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine (CID 81385572) is (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine is CC(N[C@@H](C)C1CCCC1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine?
The InChIKey is OIPPLYXMWAXAJR-PXYINDEMSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(13-7-3-4-8-13)16-12(2)14-9-5-6-10-15(14)17(18)19/h5-6,9-13,16H,3-4,7-8H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine?
(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine is sourced from PubChem (CID 81385572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).