N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine

C17H15ClFNOS — CID 59053600

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine
SMILESFc1c(OCCNCc2ccc(Cl)s2)ccc2ccccc12
InChIInChI=1S/C17H15ClFNOS/c18-16-8-6-13(22-16)11-20-9-10-21-15-7-5-12-3-1-2-4-14(12)17(15)19/h1-8,20H,9-11H2
InChIKeyMUWKOKWQQMWTCE-UHFFFAOYSA-N
MW335.83 g/mol
LogP4.86
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine (PubChem CID 59053600) has the molecular formula C17H15ClFNOS and a molecular weight of 335.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine
PubChem CID59053600
Molecular FormulaC17H15ClFNOS
Molecular Weight335.83 g/mol
Exact Mass335.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine
SMILESFc1c(OCCNCc2ccc(Cl)s2)ccc2ccccc12
InChIInChI=1S/C17H15ClFNOS/c18-16-8-6-13(22-16)11-20-9-10-21-15-7-5-12-3-1-2-4-14(12)17(15)19/h1-8,20H,9-11H2
InChIKeyMUWKOKWQQMWTCE-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 54.86
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

2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 59053598
N-[(5-chlorothiophen-2-yl)methyl]-2-quinolin-3-yloxyethanamine
CID 107387936
2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 59054295
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
CID 62567648
2-(3-bromophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 55070509
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 65023787
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
N-[(5-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
CID 62565568
2-(5-chlorothiophen-2-yl)-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106046477
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol
CID 43505734

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine (CID 59053600) is N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine is Fc1c(OCCNCc2ccc(Cl)s2)ccc2ccccc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine?
The InChIKey is MUWKOKWQQMWTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNOS/c18-16-8-6-13(22-16)11-20-9-10-21-15-7-5-12-3-1-2-4-14(12)17(15)19/h1-8,20H,9-11H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine has a molecular weight of 335.83 g/mol, XLogP of 4.86, 6 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-(1-fluoronaphthalen-2-yl)oxyethanamine is sourced from PubChem (CID 59053600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).