N-benzyl-2-iodo-5-methoxyaniline

C14H14INO — CID 71421777

IUPACN-benzyl-2-iodo-5-methoxyaniline
SMILESCOc1ccc(I)c(NCc2ccccc2)c1
InChIInChI=1S/C14H14INO/c1-17-12-7-8-13(15)14(9-12)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyHKPNQRDWBYNPNZ-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.91
Rot. Bonds4

About N-benzyl-2-iodo-5-methoxyaniline

N-benzyl-2-iodo-5-methoxyaniline (PubChem CID 71421777) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is N-benzyl-2-iodo-5-methoxyaniline.

Molecular Properties

Compound NameN-benzyl-2-iodo-5-methoxyaniline
PubChem CID71421777
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC NameN-benzyl-2-iodo-5-methoxyaniline
SMILESCOc1ccc(I)c(NCc2ccccc2)c1
InChIInChI=1S/C14H14INO/c1-17-12-7-8-13(15)14(9-12)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3
InChIKeyHKPNQRDWBYNPNZ-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]aniline
CID 113253994
6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483
5-methoxy-N-[(4-methylsulfanylphenyl)methyl]-2-phenoxyaniline
CID 20504120
1-N-benzyl-2-iodobenzene-1,4-diamine
CID 66093524
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511
2-[2-(3-methoxyphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]aniline;hydrochloride
CID 24807983
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
N-[(4-butoxyphenyl)methyl]-2,5-dimethoxyaniline
CID 54797069

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-iodo-5-methoxyaniline?
The IUPAC name of N-benzyl-2-iodo-5-methoxyaniline (CID 71421777) is N-benzyl-2-iodo-5-methoxyaniline.
What is the SMILES notation for N-benzyl-2-iodo-5-methoxyaniline?
The canonical SMILES for N-benzyl-2-iodo-5-methoxyaniline is COc1ccc(I)c(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-iodo-5-methoxyaniline?
The InChIKey is HKPNQRDWBYNPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-17-12-7-8-13(15)14(9-12)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3.
What are the key properties of N-benzyl-2-iodo-5-methoxyaniline?
N-benzyl-2-iodo-5-methoxyaniline has a molecular weight of 339.18 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-iodo-5-methoxyaniline is sourced from PubChem (CID 71421777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).