3-(2-nitrophenyl)-N-propylpentan-2-amine

C14H22N2O2 — CID 63200441

IUPAC3-(2-nitrophenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N2O2/c1-4-10-15-11(3)12(5-2)13-8-6-7-9-14(13)16(17)18/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyJDYMVGBDYKCIBR-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.48
Rot. Bonds7

About 3-(2-nitrophenyl)-N-propylpentan-2-amine

3-(2-nitrophenyl)-N-propylpentan-2-amine (PubChem CID 63200441) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-nitrophenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-(2-nitrophenyl)-N-propylpentan-2-amine
PubChem CID63200441
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(2-nitrophenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N2O2/c1-4-10-15-11(3)12(5-2)13-8-6-7-9-14(13)16(17)18/h6-9,11-12,15H,4-5,10H2,1-3H3
InChIKeyJDYMVGBDYKCIBR-UHFFFAOYSA-N
XLogP3.48
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.48
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-methyl-3-(2-nitrophenyl)pentan-2-amine
CID 63200576
3-(2-methyl-6-nitrophenyl)-N-propylpentan-2-amine
CID 115554142
1-[(3R,4R)-4-methylhex-5-en-3-yl]-2-nitrobenzene
CID 139263517
3-(2-nitrophenyl)sulfanyl-N-propylbutan-2-amine
CID 64612361
N-ethyl-2-(2-nitrophenyl)pentan-3-amine
CID 55221329
3-phenyl-N-propylpentan-2-amine
CID 66438754
1-(2-nitrophenyl)sulfanyl-N-propylpropan-2-amine
CID 64610735
1-(2-nitrophenyl)ethyl N-propylcarbamate
CID 90993453
3-(5-bromo-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine
CID 65342886
3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine
CID 63197864
3-(8-nitroquinolin-4-yl)-N-propylbutan-2-amine
CID 83067409
3-methyl-N-[2-(2-nitrophenyl)ethyl]butan-2-amine
CID 63062789

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-(2-nitrophenyl)-N-propylpentan-2-amine (CID 63200441) is 3-(2-nitrophenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-(2-nitrophenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-(2-nitrophenyl)-N-propylpentan-2-amine is CCCNC(C)C(CC)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-nitrophenyl)-N-propylpentan-2-amine?
The InChIKey is JDYMVGBDYKCIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-10-15-11(3)12(5-2)13-8-6-7-9-14(13)16(17)18/h6-9,11-12,15H,4-5,10H2,1-3H3.
What are the key properties of 3-(2-nitrophenyl)-N-propylpentan-2-amine?
3-(2-nitrophenyl)-N-propylpentan-2-amine has a molecular weight of 250.34 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 63200441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).