N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine

C14H16ClNOS — CID 62567648

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
SMILESClc1ccc(CNCCOCc2ccccc2)s1
InChIInChI=1S/C14H16ClNOS/c15-14-7-6-13(18-14)10-16-8-9-17-11-12-4-2-1-3-5-12/h1-7,16H,8-11H2
InChIKeyVYJYCNHEAXUPSX-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.71
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine (PubChem CID 62567648) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
PubChem CID62567648
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
SMILESClc1ccc(CNCCOCc2ccccc2)s1
InChIInChI=1S/C14H16ClNOS/c15-14-7-6-13(18-14)10-16-8-9-17-11-12-4-2-1-3-5-12/h1-7,16H,8-11H2
InChIKeyVYJYCNHEAXUPSX-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.71
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-chlorothiophen-2-yl)methyl]-2-(furan-2-ylmethoxy)ethanamine
CID 62565568
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 65023787
2-phenylmethoxy-N-(thiophen-2-ylmethyl)ethanamine
CID 62565169
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
N-[(5-chlorothiophen-2-yl)methyl]-2-ethylsulfanylethanamine
CID 62576712
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
CID 82353063
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine
CID 59053600
2-(3-bromophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 55070509
N-[(5-chlorothiophen-2-yl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 60752480
N-[(5-chlorothiophen-2-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 54898237

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine (CID 62567648) is N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine is Clc1ccc(CNCCOCc2ccccc2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine?
The InChIKey is VYJYCNHEAXUPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c15-14-7-6-13(18-14)10-16-8-9-17-11-12-4-2-1-3-5-12/h1-7,16H,8-11H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.71, 7 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-phenylmethoxyethanamine is sourced from PubChem (CID 62567648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).