N-[(2-chloro-5-iodophenyl)methyl]ethanamine

C9H11ClIN — CID 69098832

IUPACN-[(2-chloro-5-iodophenyl)methyl]ethanamine
SMILESCCNCc1cc(I)ccc1Cl
InChIInChI=1S/C9H11ClIN/c1-2-12-6-7-5-8(11)3-4-9(7)10/h3-5,12H,2,6H2,1H3
InChIKeyCUSNGSXBVPADMW-UHFFFAOYSA-N
MW295.55 g/mol
LogP3.05
Rot. Bonds3

About N-[(2-chloro-5-iodophenyl)methyl]ethanamine

N-[(2-chloro-5-iodophenyl)methyl]ethanamine (PubChem CID 69098832) has the molecular formula C9H11ClIN and a molecular weight of 295.55 g/mol. Its IUPAC name is N-[(2-chloro-5-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-iodophenyl)methyl]ethanamine
PubChem CID69098832
Molecular FormulaC9H11ClIN
Molecular Weight295.55 g/mol
Exact Mass294.96
IUPAC NameN-[(2-chloro-5-iodophenyl)methyl]ethanamine
SMILESCCNCc1cc(I)ccc1Cl
InChIInChI=1S/C9H11ClIN/c1-2-12-6-7-5-8(11)3-4-9(7)10/h3-5,12H,2,6H2,1H3
InChIKeyCUSNGSXBVPADMW-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.55
LogP ≤ 53.05
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-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
N-[[2-chloro-5-(pyridin-4-ylmethyl)phenyl]methyl]ethanamine
CID 114076744
2-(ethylaminomethyl)-4,6-diiodophenol
CID 130693520
N-[[1-(2-chloro-5-iodophenyl)triazol-4-yl]methyl]ethanamine
CID 114261207
4,5-dichloro-2-(ethylaminomethyl)phenol
CID 82553918
(2-chloro-5-iodophenyl)methanesulfonic acid
CID 87086405
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 165438493
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106006932
1-[(2-chloro-5-fluorophenyl)methylamino]butan-2-ol
CID 102615984
N-[(2-iodophenyl)methyl]ethanamine
CID 15639059
2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
CID 119506272

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-iodophenyl)methyl]ethanamine (CID 69098832) is N-[(2-chloro-5-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-iodophenyl)methyl]ethanamine is CCNCc1cc(I)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-iodophenyl)methyl]ethanamine?
The InChIKey is CUSNGSXBVPADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClIN/c1-2-12-6-7-5-8(11)3-4-9(7)10/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(2-chloro-5-iodophenyl)methyl]ethanamine?
N-[(2-chloro-5-iodophenyl)methyl]ethanamine has a molecular weight of 295.55 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 69098832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).