N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine

C16H19N3O2 — CID 63199442

IUPACN-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1cc([N+](=O)[O-])ccn1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-2-9-18-16(13-6-4-3-5-7-13)12-14-11-15(19(20)21)8-10-17-14/h3-8,10-11,16,18H,2,9,12H2,1H3
InChIKeyHAROELMLIYKOLT-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine

N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine (PubChem CID 63199442) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine
PubChem CID63199442
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1cc([N+](=O)[O-])ccn1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-2-9-18-16(13-6-4-3-5-7-13)12-14-11-15(19(20)21)8-10-17-14/h3-8,10-11,16,18H,2,9,12H2,1H3
InChIKeyHAROELMLIYKOLT-UHFFFAOYSA-N
XLogP3.27
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
CID 55163177
N-ethyl-3,3-dimethyl-1-(4-nitro-2-pyridinyl)butan-2-amine
CID 63201814
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-pyridin-2-ylethyl)propan-1-amine
CID 43246213
N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine
CID 63199963
N-[2-(5-chloro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199678
N-[2-(5-fluoro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 55163375
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine
CID 79531257
N-[(4-nitro-2-pyridinyl)methyl]ethanamine
CID 91754303
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine?
The IUPAC name of N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine (CID 63199442) is N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine is CCCNC(Cc1cc([N+](=O)[O-])ccn1)c1ccccc1.
What is the InChIKey of N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine?
The InChIKey is HAROELMLIYKOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-9-18-16(13-6-4-3-5-7-13)12-14-11-15(19(20)21)8-10-17-14/h3-8,10-11,16,18H,2,9,12H2,1H3.
What are the key properties of N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine?
N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 63199442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).