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

C17H19Br2N — CID 60817937

IUPACN-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19Br2N/c1-2-10-20-17(14-6-8-15(18)9-7-14)12-13-4-3-5-16(19)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyYISHFHSJHSXXGD-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.49
Rot. Bonds6

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

N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine (PubChem CID 60817937) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
PubChem CID60817937
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC NameN-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H19Br2N/c1-2-10-20-17(14-6-8-15(18)9-7-14)12-13-4-3-5-16(19)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyYISHFHSJHSXXGD-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63528987
N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 80534054
N-[1-(4-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 103039790
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63502688
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 102828771

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine (CID 60817937) is N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine?
The InChIKey is YISHFHSJHSXXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-2-10-20-17(14-6-8-15(18)9-7-14)12-13-4-3-5-16(19)11-13/h3-9,11,17,20H,2,10,12H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine?
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine has a molecular weight of 397.15 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60817937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).