1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine

C15H14ClFN2O2 — CID 65018067

IUPAC1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1)Cc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClFN2O2/c16-14-5-2-6-15(19(20)21)13(14)9-12(18)8-10-3-1-4-11(17)7-10/h1-7,12H,8-9,18H2
InChIKeyBIWKDJIBRKCLCC-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.50
Rot. Bonds5

About 1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine

1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine (PubChem CID 65018067) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine
PubChem CID65018067
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine
SMILESNC(Cc1cccc(F)c1)Cc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClFN2O2/c16-14-5-2-6-15(19(20)21)13(14)9-12(18)8-10-3-1-4-11(17)7-10/h1-7,12H,8-9,18H2
InChIKeyBIWKDJIBRKCLCC-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-(2-chloro-6-nitrophenyl)butan-2-amine
CID 65020045
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
4-(2-chloro-6-nitrophenyl)-3-methylbutan-2-amine
CID 63745133
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
1-(5-fluoro-2-nitrophenyl)-3-(3-methylphenyl)propan-2-amine
CID 65017658
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
2-(2-chloro-5-methoxy-4-nitrophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 141319323
3-[(2-chloro-6-nitrophenyl)methyl]-4-methylpentan-2-one
CID 63747350
1-fluoro-3-(2-nitropropyl)benzene
CID 24721350
1-(3-chlorophenyl)-3-(4-nitrophenyl)propan-2-amine
CID 65017477
methyl 2-chloro-3-(2-chloro-6-nitrophenyl)propanoate
CID 21327869

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine (CID 65018067) is 1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine is NC(Cc1cccc(F)c1)Cc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine?
The InChIKey is BIWKDJIBRKCLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-14-5-2-6-15(19(20)21)13(14)9-12(18)8-10-3-1-4-11(17)7-10/h1-7,12H,8-9,18H2.
What are the key properties of 1-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine?
1-(2-chloro-6-nitrophenyl)-3-(3-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-(2-chloro-6-nitrophenyl)-3-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 65018067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).