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

C17H19Br2N — CID 63415176

IUPACN-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1ccccc1Br
InChIInChI=1S/C17H19Br2N/c1-2-11-20-17(15-5-3-4-6-16(15)19)12-13-7-9-14(18)10-8-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyXMAJLZSBNDTLOR-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.49
Rot. Bonds6

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

N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine (PubChem CID 63415176) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
PubChem CID63415176
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC NameN-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1ccccc1Br
InChIInChI=1S/C17H19Br2N/c1-2-11-20-17(15-5-3-4-6-16(15)19)12-13-7-9-14(18)10-8-13/h3-10,17,20H,2,11-12H2,1H3
InChIKeyXMAJLZSBNDTLOR-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-(2-bromophenyl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 105406037
1-(2-bromophenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 63417123
N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
N-[1-(3-bromo-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 106645345
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602
N-[1-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43496902
2-(4-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60820542
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine (CID 63415176) is N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine?
The InChIKey is XMAJLZSBNDTLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-2-11-20-17(15-5-3-4-6-16(15)19)12-13-7-9-14(18)10-8-13/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine?
N-[1-(2-bromophenyl)-2-(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-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63415176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).