1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine

C16H19N3O2 — CID 43246213

IUPAC1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCCC(NCCc1ccccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H19N3O2/c1-2-16(13-6-5-8-15(12-13)19(20)21)18-11-9-14-7-3-4-10-17-14/h3-8,10,12,16,18H,2,9,11H2,1H3
InChIKeyDTFUKJWHLZVCSP-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.27
Rot. Bonds7

About 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine

1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine (PubChem CID 43246213) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
PubChem CID43246213
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESCCC(NCCc1ccccn1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H19N3O2/c1-2-16(13-6-5-8-15(12-13)19(20)21)18-11-9-14-7-3-4-10-17-14/h3-8,10,12,16,18H,2,9,11H2,1H3
InChIKeyDTFUKJWHLZVCSP-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-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(3-nitrophenyl)propan-1-amine
CID 80685457
1-(3-nitrophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115902068
1-(3-nitrophenyl)-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895420
1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43297299
1-[1-(3-nitrophenyl)propylamino]pentan-3-ol
CID 115729189
N'-ethyl-N'-methyl-N-[1-(3-nitrophenyl)propyl]ethane-1,2-diamine
CID 62635178
1-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 43178454
N'-methyl-N-[1-(3-nitrophenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 62635214
5-[1-(3-nitrophenyl)propylamino]pentan-2-ol
CID 107270181
N-[1-(3-nitrophenyl)propyl]-1,3-thiazol-2-amine
CID 79046608
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199442

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The IUPAC name of 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine (CID 43246213) is 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The canonical SMILES for 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine is CCC(NCCc1ccccn1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
The InChIKey is DTFUKJWHLZVCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-16(13-6-5-8-15(12-13)19(20)21)18-11-9-14-7-3-4-10-17-14/h3-8,10,12,16,18H,2,9,11H2,1H3.
What are the key properties of 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine?
1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)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 1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 43246213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).