N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine

C15H16ClFN2S — CID 103503388

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
SMILESFc1ccc2c(c1)N(CCNCc1ccc(Cl)s1)CC2
InChIInChI=1S/C15H16ClFN2S/c16-15-4-3-13(20-15)10-18-6-8-19-7-5-11-1-2-12(17)9-14(11)19/h1-4,9,18H,5-8,10H2
InChIKeyLXYRYGATQDREHZ-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.69
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine (PubChem CID 103503388) has the molecular formula C15H16ClFN2S and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
PubChem CID103503388
Molecular FormulaC15H16ClFN2S
Molecular Weight310.83 g/mol
Exact Mass310.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
SMILESFc1ccc2c(c1)N(CCNCc1ccc(Cl)s1)CC2
InChIInChI=1S/C15H16ClFN2S/c16-15-4-3-13(20-15)10-18-6-8-19-7-5-11-1-2-12(17)9-14(11)19/h1-4,9,18H,5-8,10H2
InChIKeyLXYRYGATQDREHZ-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 107557641
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-3-methylbutan-1-amine
CID 103503406
N-[(5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654114
N-ethyl-3-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-amine
CID 103494949
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylbutan-1-amine
CID 103497056
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 103503185
5-(6-fluoro-2,3-dihydroindol-1-yl)-N-methylpentan-1-amine
CID 103503121
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-oxo-1,4-thiazinan-4-yl)ethanamine
CID 62554401
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline
CID 103503442
4-(6-fluoro-2,3-dihydroindol-1-yl)butane-1-thiol
CID 103504365
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114540403
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63620184

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine (CID 103503388) is N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine is Fc1ccc2c(c1)N(CCNCc1ccc(Cl)s1)CC2.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is LXYRYGATQDREHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c16-15-4-3-13(20-15)10-18-6-8-19-7-5-11-1-2-12(17)9-14(11)19/h1-4,9,18H,5-8,10H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 310.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 103503388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).