2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline

C17H20IN — CID 43124682

IUPAC2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccccc2I)cc1C
InChIInChI=1S/C17H20IN/c1-11-9-13(3)15(10-12(11)2)14(4)19-17-8-6-5-7-16(17)18/h5-10,14,19H,1-4H3
InChIKeyZDMNJBDSOFRPMO-UHFFFAOYSA-N
MW365.26 g/mol
LogP5.39
Rot. Bonds3

About 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline

2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (PubChem CID 43124682) has the molecular formula C17H20IN and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
PubChem CID43124682
Molecular FormulaC17H20IN
Molecular Weight365.26 g/mol
Exact Mass365.06
IUPAC Name2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
SMILESCc1cc(C)c(C(C)Nc2ccccc2I)cc1C
InChIInChI=1S/C17H20IN/c1-11-9-13(3)15(10-12(11)2)14(4)19-17-8-6-5-7-16(17)18/h5-10,14,19H,1-4H3
InChIKeyZDMNJBDSOFRPMO-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.39
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-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43110111
2-[1-(2,4,5-trimethylphenyl)ethylamino]benzonitrile
CID 43110526
2,4-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43104045
2-iodo-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]aniline
CID 115976114
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-iodoaniline
CID 82962732
2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43124775
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
CID 79769055
N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 43124709
2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43124751
(1S)-1-(2-bromophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81379135

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The IUPAC name of 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline (CID 43124682) is 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The canonical SMILES for 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is Cc1cc(C)c(C(C)Nc2ccccc2I)cc1C.
What is the InChIKey of 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
The InChIKey is ZDMNJBDSOFRPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN/c1-11-9-13(3)15(10-12(11)2)14(4)19-17-8-6-5-7-16(17)18/h5-10,14,19H,1-4H3.
What are the key properties of 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline?
2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline has a molecular weight of 365.26 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline is sourced from PubChem (CID 43124682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).