N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine

C13H14INS — CID 65479418

IUPACN-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccc(I)cc1)c1ccsc1
InChIInChI=1S/C13H14INS/c1-10(12-6-7-16-9-12)15-8-11-2-4-13(14)5-3-11/h2-7,9-10,15H,8H2,1H3
InChIKeyDVOBPANVCXKMOV-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.20
Rot. Bonds4

About N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine

N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 65479418) has the molecular formula C13H14INS and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
PubChem CID65479418
Molecular FormulaC13H14INS
Molecular Weight343.23 g/mol
Exact Mass342.99
IUPAC NameN-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccc(I)cc1)c1ccsc1
InChIInChI=1S/C13H14INS/c1-10(12-6-7-16-9-12)15-8-11-2-4-13(14)5-3-11/h2-7,9-10,15H,8H2,1H3
InChIKeyDVOBPANVCXKMOV-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.20
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

1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
4-[(1-thiophen-3-ylethylamino)methyl]benzene-1,2-diol
CID 62840100
N-methyl-1-[4-[(1-thiophen-3-ylethylamino)methyl]phenyl]methanesulfonamide
CID 75382887
1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43765203
N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 66397715
2-[4-[(1-thiophen-3-ylethylamino)methyl]phenoxy]acetamide
CID 62840445
N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360
2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
CID 55122352
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine
CID 66046894
N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine
CID 79984304

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine (CID 65479418) is N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine is CC(NCc1ccc(I)cc1)c1ccsc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is DVOBPANVCXKMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INS/c1-10(12-6-7-16-9-12)15-8-11-2-4-13(14)5-3-11/h2-7,9-10,15H,8H2,1H3.
What are the key properties of N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine?
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 343.23 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 65479418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).