1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine

C11H14ClFN2O2 — CID 66076700

IUPAC1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClFN2O2/c1-3-14-7(2)4-8-5-10(13)9(12)6-11(8)15(16)17/h5-7,14H,3-4H2,1-2H3
InChIKeyHTAHUUGPNWSBFS-UHFFFAOYSA-N
MW260.70 g/mol
LogP2.93
Rot. Bonds5

About 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine

1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine (PubChem CID 66076700) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine
PubChem CID66076700
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1cc(F)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClFN2O2/c1-3-14-7(2)4-8-5-10(13)9(12)6-11(8)15(16)17/h5-7,14H,3-4H2,1-2H3
InChIKeyHTAHUUGPNWSBFS-UHFFFAOYSA-N
XLogP2.93
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 52.93
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

2-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpentan-3-amine
CID 66079620
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
N-ethyl-1-(5-fluoro-4-iodo-2-nitrophenyl)-3-methylbutan-2-amine
CID 66102471
1-(4-chloro-5-fluoro-2-nitrophenyl)propan-2-one
CID 66077079
methyl (2S)-2-[(4-chloro-5-fluoro-2-nitrophenyl)methyl-methylamino]propanoate
CID 148613290
1-(4-fluoro-2-nitrophenyl)-N-propylpropan-2-amine
CID 63200165
3-[(5-chloro-2-nitrophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 79580574
3-(4-chloro-5-fluoro-2-nitro-N-propan-2-ylanilino)propanoic acid
CID 66078725
2-(4-chloro-5-fluoro-2-nitroanilino)-N-ethylethanesulfonamide
CID 106337969
1-(2-bromopropyl)-5-fluoro-4-iodo-2-nitrobenzene
CID 66100124
3-(4-chloro-5-fluoro-2-nitrophenyl)butan-2-amine
CID 66079416
1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-propylpropan-2-amine
CID 63200115

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine (CID 66076700) is 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine is CCNC(C)Cc1cc(F)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine?
The InChIKey is HTAHUUGPNWSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-3-14-7(2)4-8-5-10(13)9(12)6-11(8)15(16)17/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine?
1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine has a molecular weight of 260.70 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 66076700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).