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

C17H19ClIN — CID 63528586

IUPACN-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C17H19ClIN/c1-2-11-20-17(13-7-9-15(19)10-8-13)12-14-5-3-4-6-16(14)18/h3-10,17,20H,2,11-12H2,1H3
InChIKeyBUEWIBKCBWROGN-UHFFFAOYSA-N
MW399.70 g/mol
LogP5.23
Rot. Bonds6

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

N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine (PubChem CID 63528586) has the molecular formula C17H19ClIN and a molecular weight of 399.70 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
PubChem CID63528586
Molecular FormulaC17H19ClIN
Molecular Weight399.70 g/mol
Exact Mass399.03
IUPAC NameN-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1ccc(I)cc1
InChIInChI=1S/C17H19ClIN/c1-2-11-20-17(13-7-9-15(19)10-8-13)12-14-5-3-4-6-16(14)18/h3-10,17,20H,2,11-12H2,1H3
InChIKeyBUEWIBKCBWROGN-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.70
LogP ≤ 55.23
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-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
N-[2-(2,4-dichlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115840283
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
N-[2-(2-chlorophenyl)-1-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 63415367
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine
CID 102651394
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine (CID 63528586) is N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Cl)c1ccc(I)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine?
The InChIKey is BUEWIBKCBWROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClIN/c1-2-11-20-17(13-7-9-15(19)10-8-13)12-14-5-3-4-6-16(14)18/h3-10,17,20H,2,11-12H2,1H3.
What are the key properties of N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine?
N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine has a molecular weight of 399.70 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63528586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).