N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C15H16INS — CID 65478755

IUPACN-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESIc1ccc(CN(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C15H16INS/c16-14-3-1-12(2-4-14)9-17(15-5-6-15)10-13-7-8-18-11-13/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyMGOHPSVIMUDRFH-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.52
Rot. Bonds5

About N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 65478755) has the molecular formula C15H16INS and a molecular weight of 369.27 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID65478755
Molecular FormulaC15H16INS
Molecular Weight369.27 g/mol
Exact Mass369.00
IUPAC NameN-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESIc1ccc(CN(Cc2ccsc2)C2CC2)cc1
InChIInChI=1S/C15H16INS/c16-14-3-1-12(2-4-14)9-17(15-5-6-15)10-13-7-8-18-11-13/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyMGOHPSVIMUDRFH-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine 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-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-amino-4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434075
N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61434645
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2-methoxyaniline
CID 61433786
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900408
N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65489354
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556382
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 65478755) is N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is Ic1ccc(CN(Cc2ccsc2)C2CC2)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is MGOHPSVIMUDRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INS/c16-14-3-1-12(2-4-14)9-17(15-5-6-15)10-13-7-8-18-11-13/h1-4,7-8,11,15H,5-6,9-10H2.
What are the key properties of N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 369.27 g/mol, XLogP of 4.52, 5 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-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 65478755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).