N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

C15H18INS — CID 63503327

IUPACN-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)c1sccc1C
InChIInChI=1S/C15H18INS/c1-3-8-17-14(15-11(2)7-9-18-15)12-5-4-6-13(16)10-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyQCBAMKDVYYCFOA-UHFFFAOYSA-N
MW371.29 g/mol
LogP4.75
Rot. Bonds5

About N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 63503327) has the molecular formula C15H18INS and a molecular weight of 371.29 g/mol. Its IUPAC name is N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID63503327
Molecular FormulaC15H18INS
Molecular Weight371.29 g/mol
Exact Mass371.02
IUPAC NameN-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)c1sccc1C
InChIInChI=1S/C15H18INS/c1-3-8-17-14(15-11(2)7-9-18-15)12-5-4-6-13(16)10-12/h4-7,9-10,14,17H,3,8H2,1-2H3
InChIKeyQCBAMKDVYYCFOA-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868
N-[(3,4-dimethylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43493977
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(3-iodophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794712
N-[(2,6-difluoro-3-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 105027074
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(2,6-difluorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55006823
N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503475
N-[(4-fluoro-3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 81283095
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115852372
N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115859755

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 63503327) is N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cccc(I)c1)c1sccc1C.
What is the InChIKey of N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is QCBAMKDVYYCFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INS/c1-3-8-17-14(15-11(2)7-9-18-15)12-5-4-6-13(16)10-12/h4-7,9-10,14,17H,3,8H2,1-2H3.
What are the key properties of N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 371.29 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63503327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).