N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine

C13H18INO — CID 65478571

IUPACN-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C13H18INO/c1-16-9-8-15(13-6-7-13)10-11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyFKZIQFCXUFJHEF-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.90
Rot. Bonds6

About N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine

N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 65478571) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine
PubChem CID65478571
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC NameN-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C13H18INO/c1-16-9-8-15(13-6-7-13)10-11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyFKZIQFCXUFJHEF-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62435763
N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65478565
N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65489354
4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180368
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106785333
2-[cyclohexyl-[(4-iodophenyl)methyl]amino]ethanol
CID 65478154
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 54946789
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 54946800
5-[[cyclopropyl(2-methoxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879268
N-[(4-iodophenyl)methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 65477533
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
N-(2-methoxyethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62019654

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine (CID 65478571) is N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine is COCCN(Cc1ccc(I)cc1)C1CC1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is FKZIQFCXUFJHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO/c1-16-9-8-15(13-6-7-13)10-11-2-4-12(14)5-3-11/h2-5,13H,6-10H2,1H3.
What are the key properties of N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine?
N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 331.20 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 65478571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).