1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine

C15H14BrClN2O2 — CID 114382734

IUPAC1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine
SMILESNC(Cc1ccccc1Cl)Cc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14BrClN2O2/c16-12-6-5-11(15(9-12)19(20)21)8-13(18)7-10-3-1-2-4-14(10)17/h1-6,9,13H,7-8,18H2
InChIKeyISFSIPXXEQONFV-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine

1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine (PubChem CID 114382734) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine
PubChem CID114382734
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine
SMILESNC(Cc1ccccc1Cl)Cc1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14BrClN2O2/c16-12-6-5-11(15(9-12)19(20)21)8-13(18)7-10-3-1-2-4-14(10)17/h1-6,9,13H,7-8,18H2
InChIKeyISFSIPXXEQONFV-UHFFFAOYSA-N
XLogP4.12
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.12
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-chlorophenyl)-4-(2-nitrophenyl)butan-2-amine
CID 65017978
1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 60818442
4-bromo-1-(3-chloro-2-methylbutyl)-2-nitrobenzene
CID 114382432
4-bromo-1-(3-chloro-2-methyl-3-phenylpropyl)-2-nitrobenzene
CID 114382465
2-[(4-bromo-2-nitrophenyl)methylsulfanyl]-4-chloroaniline
CID 114381720
2-[(4-bromo-2-nitrophenyl)methylsulfanyl]-5-chloroaniline
CID 114381678
4-[(4-bromo-2-nitrophenyl)methylsulfanyl]-3-chloroaniline
CID 114381691
4-bromo-1-(2,2-dimethoxyethyl)-2-nitrobenzene
CID 21304764
1-(4-bromophenyl)-3-(2-fluoro-3-nitrophenyl)propan-2-amine
CID 107353655
4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
2-(4-bromo-2-nitrophenyl)-1-phenylethanone
CID 63198831
1-(2-chloro-4-nitrophenyl)-3-phenylpropan-2-amine
CID 65019647

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine (CID 114382734) is 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine is NC(Cc1ccccc1Cl)Cc1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine?
The InChIKey is ISFSIPXXEQONFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-12-6-5-11(15(9-12)19(20)21)8-13(18)7-10-3-1-2-4-14(10)17/h1-6,9,13H,7-8,18H2.
What are the key properties of 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine?
1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine has a molecular weight of 369.65 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-nitrophenyl)-3-(2-chlorophenyl)propan-2-amine is sourced from PubChem (CID 114382734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).