3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine

C15H23FN2O2 — CID 63197864

IUPAC3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1cc(F)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H23FN2O2/c1-5-8-17-11(4)15(10(2)3)13-9-12(16)6-7-14(13)18(19)20/h6-7,9-11,15,17H,5,8H2,1-4H3
InChIKeyKRXPTHKTDFZBGV-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.86
Rot. Bonds7

About 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine

3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine (PubChem CID 63197864) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine
PubChem CID63197864
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(c1cc(F)ccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H23FN2O2/c1-5-8-17-11(4)15(10(2)3)13-9-12(16)6-7-14(13)18(19)20/h6-7,9-11,15,17H,5,8H2,1-4H3
InChIKeyKRXPTHKTDFZBGV-UHFFFAOYSA-N
XLogP3.86
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.86
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

3-(5-bromo-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine
CID 65342886
3-(3,5-difluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine
CID 115509960
3-(2-bromo-4-nitrophenyl)-4-methyl-N-propylpentan-2-amine
CID 63197434
1-(4-fluoro-2-nitrophenyl)-N-propylpropan-2-amine
CID 63200165
3-(5-fluoro-2-nitrophenyl)-N-methylbutan-2-amine
CID 63199938
1-(5-fluoro-2-nitrophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 60995850
5-fluoro-2-nitro-N-propylaniline
CID 50987928
3-(2-nitrophenyl)-N-propylpentan-2-amine
CID 63200441
(1R)-1-(5-fluoro-2-nitrophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171206039
(1S)-1-(5-fluoro-2-nitrophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171225614
N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine
CID 63355187
(1S)-1-(5-fluoro-2-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131466473

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine (CID 63197864) is 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine is CCCNC(C)C(c1cc(F)ccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is KRXPTHKTDFZBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-8-17-11(4)15(10(2)3)13-9-12(16)6-7-14(13)18(19)20/h6-7,9-11,15,17H,5,8H2,1-4H3.
What are the key properties of 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine?
3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 282.36 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-nitrophenyl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 63197864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).