[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine

C13H14ClNO2S — CID 60878324

IUPAC[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCc2ccc(Cl)s2)c(CN)c1
InChIInChI=1S/C13H14ClNO2S/c1-16-10-2-4-12(9(6-10)7-15)17-8-11-3-5-13(14)18-11/h2-6H,7-8,15H2,1H3
InChIKeyYBVMEUTWBLKRQK-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.45
Rot. Bonds5

About [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine

[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 60878324) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID60878324
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCc2ccc(Cl)s2)c(CN)c1
InChIInChI=1S/C13H14ClNO2S/c1-16-10-2-4-12(9(6-10)7-15)17-8-11-3-5-13(14)18-11/h2-6H,7-8,15H2,1H3
InChIKeyYBVMEUTWBLKRQK-UHFFFAOYSA-N
XLogP3.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60878519
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43268075
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
CID 43141982
[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 61481790
[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine
CID 106929092
1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60882194
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 61267654
4-[[2-(aminomethyl)-4-methoxyphenoxy]methyl]-3-methylbenzonitrile
CID 114479461

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine (CID 60878324) is [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine is COc1ccc(OCc2ccc(Cl)s2)c(CN)c1.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is YBVMEUTWBLKRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-16-10-2-4-12(9(6-10)7-15)17-8-11-3-5-13(14)18-11/h2-6H,7-8,15H2,1H3.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine?
[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine has a molecular weight of 283.78 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 60878324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).