N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine

C16H18INS — CID 105052605

IUPACN-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1csc(I)c1)C1CC1c1ccccc1
InChIInChI=1S/C16H18INS/c1-2-18-16(12-8-15(17)19-10-12)14-9-13(14)11-6-4-3-5-7-11/h3-8,10,13-14,16,18H,2,9H2,1H3
InChIKeySPVPUZXIAAWCER-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.81
Rot. Bonds5

About N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine

N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 105052605) has the molecular formula C16H18INS and a molecular weight of 383.30 g/mol. Its IUPAC name is N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID105052605
Molecular FormulaC16H18INS
Molecular Weight383.30 g/mol
Exact Mass383.02
IUPAC NameN-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1csc(I)c1)C1CC1c1ccccc1
InChIInChI=1S/C16H18INS/c1-2-18-16(12-8-15(17)19-10-12)14-9-13(14)11-6-4-3-5-7-11/h3-8,10,13-14,16,18H,2,9H2,1H3
InChIKeySPVPUZXIAAWCER-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.81
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-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
N-[(5-iodothiophen-3-yl)-phenylmethyl]ethanamine
CID 79693571
N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490
N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052687
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[(5-iodothiophen-3-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988096
N-[(3,4-dimethylcyclohexyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 104989415
N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052701
N-[(3-methyl-2-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517426
N-[3,4-dihydro-2H-pyran-6-yl-(2-phenylcyclopropyl)methyl]ethanamine
CID 102649116
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402

Frequently Asked Questions

What is the IUPAC name of N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine (CID 105052605) is N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(c1csc(I)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is SPVPUZXIAAWCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18INS/c1-2-18-16(12-8-15(17)19-10-12)14-9-13(14)11-6-4-3-5-7-11/h3-8,10,13-14,16,18H,2,9H2,1H3.
What are the key properties of N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine?
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 383.30 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 105052605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).