N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine

C14H19FN2O2 — CID 63355187

IUPACN-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H19FN2O2/c1-2-7-16-13(10-3-4-10)9-11-8-12(15)5-6-14(11)17(18)19/h5-6,8,10,13,16H,2-4,7,9H2,1H3
InChIKeyOZVUXNFHKRIJHK-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.05
Rot. Bonds7

About N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine (PubChem CID 63355187) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine
PubChem CID63355187
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H19FN2O2/c1-2-7-16-13(10-3-4-10)9-11-8-12(15)5-6-14(11)17(18)19/h5-6,8,10,13,16H,2-4,7,9H2,1H3
InChIKeyOZVUXNFHKRIJHK-UHFFFAOYSA-N
XLogP3.05
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
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

N-[1-cyclopropyl-2-(2-methyl-4-nitrophenyl)ethyl]propan-1-amine
CID 63355424
N-[2-(2-chloro-4-fluorophenyl)-1-cyclopropylethyl]propan-1-amine
CID 55095503
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
N-[2-(2-chloro-5-fluorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 102618966
1-(5-fluoro-2-nitrophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 60995850
1-(4-fluoro-2-nitrophenyl)-N-propylpropan-2-amine
CID 63200165
3-(4-bromo-2-nitrophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 114382016
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-(5-fluoro-2-nitrophenyl)-N-methylpropan-2-amine
CID 63199917
N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
CID 65414201
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine (CID 63355187) is N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine?
The InChIKey is OZVUXNFHKRIJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-2-7-16-13(10-3-4-10)9-11-8-12(15)5-6-14(11)17(18)19/h5-6,8,10,13,16H,2-4,7,9H2,1H3.
What are the key properties of N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine has a molecular weight of 266.32 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(5-fluoro-2-nitrophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63355187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).