N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine

C17H18BrF2N — CID 63528602

IUPACN-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1c(F)cccc1F
InChIInChI=1S/C17H18BrF2N/c1-2-10-21-16(11-12-6-8-13(18)9-7-12)17-14(19)4-3-5-15(17)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyXQOLTDLNDYATNV-UHFFFAOYSA-N
MW354.24 g/mol
LogP5.01
Rot. Bonds6

About N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine

N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine (PubChem CID 63528602) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
PubChem CID63528602
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC NameN-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1c(F)cccc1F
InChIInChI=1S/C17H18BrF2N/c1-2-10-21-16(11-12-6-8-13(18)9-7-12)17-14(19)4-3-5-15(17)20/h3-9,16,21H,2,10-11H2,1H3
InChIKeyXQOLTDLNDYATNV-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromo-6-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114559918
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522485
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 63412021
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[1-(2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 79517743
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine (CID 63528602) is N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1)c1c(F)cccc1F.
What is the InChIKey of N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is XQOLTDLNDYATNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-2-10-21-16(11-12-6-8-13(18)9-7-12)17-14(19)4-3-5-15(17)20/h3-9,16,21H,2,10-11H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine?
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 354.24 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63528602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).