N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine

C17H18BrClFN — CID 106646413

IUPACN-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cccc(Br)c2F)cc1Cl
InChIInChI=1S/C17H18BrClFN/c1-3-9-21-11(2)13-8-7-12(10-16(13)19)14-5-4-6-15(18)17(14)20/h4-8,10-11,21H,3,9H2,1-2H3
InChIKeyHDCLUBLHPGMLBT-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.97
Rot. Bonds5

About N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine

N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine (PubChem CID 106646413) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine
PubChem CID106646413
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC NameN-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cccc(Br)c2F)cc1Cl
InChIInChI=1S/C17H18BrClFN/c1-3-9-21-11(2)13-8-7-12(10-16(13)19)14-5-4-6-15(18)17(14)20/h4-8,10-11,21H,3,9H2,1-2H3
InChIKeyHDCLUBLHPGMLBT-UHFFFAOYSA-N
XLogP5.97
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 ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[2-chloro-4-(2,3-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772141
N-[1-[2-chloro-4-(2,4-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82772125
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 82771994
N-[1-[2-(3-chloro-4-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504412
N-[1-[2-chloro-4-(2-methylthiophen-3-yl)phenyl]ethyl]propan-1-amine
CID 102834411
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 107952660
N-[1-[5-(3-bromo-2-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 107954758
N-[1-[2-(2-chloro-4,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 107476928
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
N-[1-[4-(2,3-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63423946
1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine (CID 106646413) is N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2cccc(Br)c2F)cc1Cl.
What is the InChIKey of N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine?
The InChIKey is HDCLUBLHPGMLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-3-9-21-11(2)13-8-7-12(10-16(13)19)14-5-4-6-15(18)17(14)20/h4-8,10-11,21H,3,9H2,1-2H3.
What are the key properties of N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine?
N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine has a molecular weight of 370.69 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-bromo-2-fluorophenyl)-2-chlorophenyl]ethyl]propan-1-amine is sourced from PubChem (CID 106646413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).