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

C17H19Br2N — CID 60817936

IUPACN-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1ccc(Br)cc1
InChIInChI=1S/C17H19Br2N/c1-2-11-20-17(13-7-9-15(18)10-8-13)12-14-5-3-4-6-16(14)19/h3-10,17,20H,2,11-12H2,1H3
InChIKeyUYHJHAXOKDDFSZ-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.49
Rot. Bonds6

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

N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine (PubChem CID 60817936) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
PubChem CID60817936
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC NameN-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1ccc(Br)cc1
InChIInChI=1S/C17H19Br2N/c1-2-11-20-17(13-7-9-15(18)10-8-13)12-14-5-3-4-6-16(14)19/h3-10,17,20H,2,11-12H2,1H3
InChIKeyUYHJHAXOKDDFSZ-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-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 63412021
N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine
CID 107504146
N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 60819665
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
N-[1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63411936

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine (CID 60817936) is N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Br)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine?
The InChIKey is UYHJHAXOKDDFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-2-11-20-17(13-7-9-15(18)10-8-13)12-14-5-3-4-6-16(14)19/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine?
N-[2-(2-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-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60817936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).