N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline

C16H18IN — CID 114256925

IUPACN-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline
SMILESCCc1ccccc1CNc1cccc(I)c1C
InChIInChI=1S/C16H18IN/c1-3-13-7-4-5-8-14(13)11-18-16-10-6-9-15(17)12(16)2/h4-10,18H,3,11H2,1-2H3
InChIKeyFMBLOMFHDLCBMV-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.77
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline

N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline (PubChem CID 114256925) has the molecular formula C16H18IN and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline
PubChem CID114256925
Molecular FormulaC16H18IN
Molecular Weight351.23 g/mol
Exact Mass351.05
IUPAC NameN-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline
SMILESCCc1ccccc1CNc1cccc(I)c1C
InChIInChI=1S/C16H18IN/c1-3-13-7-4-5-8-14(13)11-18-16-10-6-9-15(17)12(16)2/h4-10,18H,3,11H2,1-2H3
InChIKeyFMBLOMFHDLCBMV-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'}

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Related Compounds

2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
2-bromo-6-[(3-iodo-2-methylanilino)methyl]phenol
CID 114256858
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
3-[(2-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 62392114
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-iodo-2-methylaniline
CID 113368513
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047
N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine
CID 64693238
3-iodo-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 113373429
2-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 115992788
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline?
The IUPAC name of N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline (CID 114256925) is N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline is CCc1ccccc1CNc1cccc(I)c1C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline?
The InChIKey is FMBLOMFHDLCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN/c1-3-13-7-4-5-8-14(13)11-18-16-10-6-9-15(17)12(16)2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline?
N-[(2-ethylphenyl)methyl]-3-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-[(2-ethylphenyl)methyl]-3-iodo-2-methylaniline is sourced from PubChem (CID 114256925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).