N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline

C16H18IN — CID 43124709

IUPACN-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
SMILESCCc1ccc(C(C)Nc2ccccc2I)cc1
InChIInChI=1S/C16H18IN/c1-3-13-8-10-14(11-9-13)12(2)18-16-7-5-4-6-15(16)17/h4-12,18H,3H2,1-2H3
InChIKeyXTGXIKONOAQSBQ-UHFFFAOYSA-N
MW351.23 g/mol
LogP5.03
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline

N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline (PubChem CID 43124709) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
PubChem CID43124709
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
SMILESCCc1ccc(C(C)Nc2ccccc2I)cc1
InChIInChI=1S/C16H18IN/c1-3-13-8-10-14(11-9-13)12(2)18-16-7-5-4-6-15(16)17/h4-12,18H,3H2,1-2H3
InChIKeyXTGXIKONOAQSBQ-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.23
LogP ≤ 55.03
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

2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43124751
4-chloro-N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 107632037
N-[1-(4-ethylphenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739243
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
N-[1-(4-ethylphenyl)ethyl]-2-(methoxymethyl)aniline
CID 43677953
4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
CID 43773421
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
N-[1-(4-ethylphenyl)ethyl]-5-iodopyrimidin-4-amine
CID 66342777
2,4-dichloro-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43104033
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
N-[1-(4-ethylphenyl)ethyl]-4-methylpyridin-3-amine
CID 63329919

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline (CID 43124709) is N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline is CCc1ccc(C(C)Nc2ccccc2I)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline?
The InChIKey is XTGXIKONOAQSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-3-13-8-10-14(11-9-13)12(2)18-16-7-5-4-6-15(16)17/h4-12,18H,3H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline?
N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline has a molecular weight of 351.23 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline is sourced from PubChem (CID 43124709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).