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

C15H14ClFIN — CID 105397345

IUPACN-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1ccccc1I
InChIInChI=1S/C15H14ClFIN/c1-2-19-15(11-5-3-4-6-14(11)18)12-9-10(17)7-8-13(12)16/h3-9,15,19H,2H2,1H3
InChIKeyLRUNPBUAQQBWOQ-UHFFFAOYSA-N
MW389.64 g/mol
LogP4.78
Rot. Bonds4

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

N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine (PubChem CID 105397345) has the molecular formula C15H14ClFIN and a molecular weight of 389.64 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
PubChem CID105397345
Molecular FormulaC15H14ClFIN
Molecular Weight389.64 g/mol
Exact Mass388.98
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1ccccc1I
InChIInChI=1S/C15H14ClFIN/c1-2-19-15(11-5-3-4-6-14(11)18)12-9-10(17)7-8-13(12)16/h3-9,15,19H,2H2,1H3
InChIKeyLRUNPBUAQQBWOQ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.64
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine 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-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
CID 105396813
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835
N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
CID 107103191
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[1-benzothiophen-3-yl-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105396957
N-[(2-chloro-4,5-difluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 107476507
N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine
CID 115852796
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969347
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine (CID 105397345) is N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1Cl)c1ccccc1I.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine?
The InChIKey is LRUNPBUAQQBWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFIN/c1-2-19-15(11-5-3-4-6-14(11)18)12-9-10(17)7-8-13(12)16/h3-9,15,19H,2H2,1H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine has a molecular weight of 389.64 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 105397345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).