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

C17H19BrIN — CID 63528987

IUPACN-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccccc1I
InChIInChI=1S/C17H19BrIN/c1-2-10-20-17(15-8-3-4-9-16(15)19)12-13-6-5-7-14(18)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyOCOMKTIGWMEJHN-UHFFFAOYSA-N
MW444.15 g/mol
LogP5.34
Rot. Bonds6

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

N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine (PubChem CID 63528987) has the molecular formula C17H19BrIN and a molecular weight of 444.15 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
PubChem CID63528987
Molecular FormulaC17H19BrIN
Molecular Weight444.15 g/mol
Exact Mass442.97
IUPAC NameN-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Br)c1)c1ccccc1I
InChIInChI=1S/C17H19BrIN/c1-2-10-20-17(15-8-3-4-9-16(15)19)12-13-6-5-7-14(18)11-13/h3-9,11,17,20H,2,10,12H2,1H3
InChIKeyOCOMKTIGWMEJHN-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.15
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethylphenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527278
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[2-(4-chloro-3-fluorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 107892255
2-(3-bromophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 60819413
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
N-[2-(3-bromophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
CID 80534054
N-[1-(4-bromo-3-chlorophenyl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 81291663
N-[1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 65306968
N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63526365
N-[2-(3-bromophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63502688
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
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-(2-iodophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine (CID 63528987) is N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Br)c1)c1ccccc1I.
What is the InChIKey of N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine?
The InChIKey is OCOMKTIGWMEJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrIN/c1-2-10-20-17(15-8-3-4-9-16(15)19)12-13-6-5-7-14(18)11-13/h3-9,11,17,20H,2,10,12H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine?
N-[2-(3-bromophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine has a molecular weight of 444.15 g/mol, XLogP of 5.34, 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-(2-iodophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63528987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).