1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine

C17H18BrClFN — CID 43695556

IUPAC1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18BrClFN/c1-11(9-13-3-6-15(18)7-4-13)21-12(2)14-5-8-17(20)16(19)10-14/h3-8,10-12,21H,9H2,1-2H3
InChIKeyHLWSXYDFOJAIFW-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.52
Rot. Bonds5

About 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine

1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine (PubChem CID 43695556) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine
PubChem CID43695556
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC Name1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18BrClFN/c1-11(9-13-3-6-15(18)7-4-13)21-12(2)14-5-8-17(20)16(19)10-14/h3-8,10-12,21H,9H2,1-2H3
InChIKeyHLWSXYDFOJAIFW-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine (CID 43695556) is 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine is CC(Cc1ccc(Br)cc1)NC(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is HLWSXYDFOJAIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-11(9-13-3-6-15(18)7-4-13)21-12(2)14-5-8-17(20)16(19)10-14/h3-8,10-12,21H,9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine?
1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 370.69 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[1-(3-chloro-4-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43695556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).