N-[(2-iodophenyl)methyl]ethanamine

C9H12IN — CID 15639059

IUPACN-[(2-iodophenyl)methyl]ethanamine
SMILESCCNCc1ccccc1I
InChIInChI=1S/C9H12IN/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyMUKNTRPGCMWOOF-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.40
Rot. Bonds3

About N-[(2-iodophenyl)methyl]ethanamine

N-[(2-iodophenyl)methyl]ethanamine (PubChem CID 15639059) has the molecular formula C9H12IN and a molecular weight of 261.11 g/mol. Its IUPAC name is N-[(2-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-iodophenyl)methyl]ethanamine
PubChem CID15639059
Molecular FormulaC9H12IN
Molecular Weight261.11 g/mol
Exact Mass261.00
IUPAC NameN-[(2-iodophenyl)methyl]ethanamine
SMILESCCNCc1ccccc1I
InChIInChI=1S/C9H12IN/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3
InChIKeyMUKNTRPGCMWOOF-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.40
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

N-[(2-iodophenyl)methyl]butan-1-amine
CID 14973231
2-(ethylaminomethyl)phenol
CID 12995218
1-(2-iodophenyl)-N-methylmethanamine;hydrochloride
CID 155822596
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
N-[(2-phenylsulfanylphenyl)methyl]ethanamine
CID 21402704
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]ethanamine
CID 66226641
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
N-[[2-(1,2,4-triazol-4-yl)phenyl]methyl]ethanamine
CID 62267367

Frequently Asked Questions

What is the IUPAC name of N-[(2-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-iodophenyl)methyl]ethanamine (CID 15639059) is N-[(2-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-iodophenyl)methyl]ethanamine is CCNCc1ccccc1I.
What is the InChIKey of N-[(2-iodophenyl)methyl]ethanamine?
The InChIKey is MUKNTRPGCMWOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7H2,1H3.
What are the key properties of N-[(2-iodophenyl)methyl]ethanamine?
N-[(2-iodophenyl)methyl]ethanamine has a molecular weight of 261.11 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 15639059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).