N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine

C13H18N2O2 — CID 43298232

IUPACN-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
SMILESCC(NCC1CCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O2/c1-10(14-9-11-5-4-6-11)12-7-2-3-8-13(12)15(16)17/h2-3,7-8,10-11,14H,4-6,9H2,1H3
InChIKeyLUIMXMPDBMXNPP-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.05
Rot. Bonds5

About N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine

N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine (PubChem CID 43298232) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
PubChem CID43298232
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
SMILESCC(NCC1CCC1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O2/c1-10(14-9-11-5-4-6-11)12-7-2-3-8-13(12)15(16)17/h2-3,7-8,10-11,14H,4-6,9H2,1H3
InChIKeyLUIMXMPDBMXNPP-UHFFFAOYSA-N
XLogP3.05
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.05
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

(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 103841179
cis-(1S,2R)-2-[[[(1S)-1-(2-methyl-3-nitrophenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 97323079
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103906316
(1S)-1-cyclopentyl-N-[1-(2-nitrophenyl)ethyl]ethanamine
CID 81385572
[2-[1-(2-nitrophenyl)ethylamino]cyclopentyl]methanol
CID 103717133
2-[1-(2-nitrophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115663609
N-[(2-ethylphenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 64681766
2-methyl-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 65031967
3-[1-(2-nitrophenyl)ethylamino]cyclohexan-1-ol
CID 43751277
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine (CID 43298232) is N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine is CC(NCC1CCC1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine?
The InChIKey is LUIMXMPDBMXNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(14-9-11-5-4-6-11)12-7-2-3-8-13(12)15(16)17/h2-3,7-8,10-11,14H,4-6,9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine?
N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine has a molecular weight of 234.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 43298232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).