1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine

C15H14ClFN2O2 — CID 79556514

IUPAC1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClFN2O2/c16-12-3-6-15(19(20)21)11(8-12)9-14(18)7-10-1-4-13(17)5-2-10/h1-6,8,14H,7,9,18H2
InChIKeyWIKWILWNVQDZNO-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.50
Rot. Bonds5

About 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine

1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine (PubChem CID 79556514) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine
PubChem CID79556514
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine
SMILESNC(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClFN2O2/c16-12-3-6-15(19(20)21)11(8-12)9-14(18)7-10-1-4-13(17)5-2-10/h1-6,8,14H,7,9,18H2
InChIKeyWIKWILWNVQDZNO-UHFFFAOYSA-N
XLogP3.50
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.50
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

1-(4-bromophenyl)-3-(5-fluoro-2-nitrophenyl)propan-2-amine
CID 65018015
1-(5-fluoro-2-nitrophenyl)-4-methylpentan-2-amine
CID 65020156
1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine
CID 65017658
1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
CID 103048411
1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
CID 114843607
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640
methyl 3-amino-4-(5-fluoro-2-nitrophenyl)butanoate
CID 138688284
1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
CID 65017800
1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine
CID 65017477
2-chloro-3-(5-fluoro-2-nitrophenyl)propanamide
CID 104513275
2-[2-(1-bromoethyl)-3-methylbutyl]-4-chloro-1-nitrobenzene
CID 79580937
2-(2-bromo-4-methylpentyl)-4-chloro-1-nitrobenzene
CID 115472121

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine (CID 79556514) is 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine is NC(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine?
The InChIKey is WIKWILWNVQDZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-12-3-6-15(19(20)21)11(8-12)9-14(18)7-10-1-4-13(17)5-2-10/h1-6,8,14H,7,9,18H2.
What are the key properties of 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine?
1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine has a molecular weight of 308.74 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 79556514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).