N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline

C16H18IN — CID 43716986

IUPACN-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline
SMILESCCc1ccc(CNc2ccc(I)cc2C)cc1
InChIInChI=1S/C16H18IN/c1-3-13-4-6-14(7-5-13)11-18-16-9-8-15(17)10-12(16)2/h4-10,18H,3,11H2,1-2H3
InChIKeyREYHLFPKUROZIL-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.77
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline

N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline (PubChem CID 43716986) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline
PubChem CID43716986
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC NameN-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline
SMILESCCc1ccc(CNc2ccc(I)cc2C)cc1
InChIInChI=1S/C16H18IN/c1-3-13-4-6-14(7-5-13)11-18-16-9-8-15(17)10-12(16)2/h4-10,18H,3,11H2,1-2H3
InChIKeyREYHLFPKUROZIL-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747
4-iodo-2-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760091
N-[(3,4-dimethoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43716980
N-[(5-ethylthiophen-2-yl)methyl]-4-iodo-2-methylaniline
CID 63440748
N-[(4-bromo-3-chlorophenyl)methyl]-4-iodo-2-methylaniline
CID 114076429
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-iodo-2-methylaniline
CID 43785217
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-iodo-2-methylaniline
CID 43804363
N-[(2,5-difluorophenyl)methyl]-4-iodo-2-methylaniline
CID 43716958
3-[(4-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 43741705
4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43227956
2-chloro-N-[(3,4-dimethylphenyl)methyl]-4-iodoaniline
CID 43788803
1-N-(4-iodo-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 130588894

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline?
The IUPAC name of N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline (CID 43716986) is N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline is CCc1ccc(CNc2ccc(I)cc2C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline?
The InChIKey is REYHLFPKUROZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-3-13-4-6-14(7-5-13)11-18-16-9-8-15(17)10-12(16)2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline?
N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline has a molecular weight of 351.23 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-4-iodo-2-methylaniline is sourced from PubChem (CID 43716986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).