[5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine

C13H14ClNOS — CID 107558073

IUPAC[5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(COCc2ccccc2Cl)s1
InChIInChI=1S/C13H14ClNOS/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-6H,7-9,15H2
InChIKeyYSIXOCSBOZRDMC-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.58
Rot. Bonds5

About [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine

[5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine (PubChem CID 107558073) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine
PubChem CID107558073
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name[5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine
SMILESNCc1ccc(COCc2ccccc2Cl)s1
InChIInChI=1S/C13H14ClNOS/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-6H,7-9,15H2
InChIKeyYSIXOCSBOZRDMC-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-chlorophenyl)methoxymethyl]-3-fluorophenyl]methanamine
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CID 107559173
[4-[(2-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
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1-chloro-2-(2-methylpropoxymethyl)benzene
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5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
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2-[2-[(2-chlorophenyl)methoxymethyl]phenyl]-N-methylethanamine
CID 115464549
2-[(2-chlorophenyl)methoxymethyl]prop-2-ene-1-thiol
CID 103073675
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
CID 112646463
2-bromo-5-[(2-fluorophenyl)methoxymethyl]thiophene
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4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline
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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine (CID 107558073) is [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine is NCc1ccc(COCc2ccccc2Cl)s1.
What is the InChIKey of [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine?
The InChIKey is YSIXOCSBOZRDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-6H,7-9,15H2.
What are the key properties of [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine?
[5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine has a molecular weight of 267.78 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107558073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).