[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine

C15H19NOS — CID 79803069

IUPAC[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine
SMILESCOCCc1ccc(C(N)c2cscc2C)cc1
InChIInChI=1S/C15H19NOS/c1-11-9-18-10-14(11)15(16)13-5-3-12(4-6-13)7-8-17-2/h3-6,9-10,15H,7-8,16H2,1-2H3
InChIKeyNHQULVORFIXIFO-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.29
Rot. Bonds5

About [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine

[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine (PubChem CID 79803069) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine
PubChem CID79803069
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine
SMILESCOCCc1ccc(C(N)c2cscc2C)cc1
InChIInChI=1S/C15H19NOS/c1-11-9-18-10-14(11)15(16)13-5-3-12(4-6-13)7-8-17-2/h3-6,9-10,15H,7-8,16H2,1-2H3
InChIKeyNHQULVORFIXIFO-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79810445
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198335
(3,4-dimethylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 79802611
(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 55136672
(5-bromothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43384444
furan-2-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43464362
(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 81323781
2-(3,4-dimethylphenyl)-1-[4-(2-methoxyethyl)phenyl]ethanamine
CID 62553299
1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43198365
(4-methylthiophen-3-yl)-(4-propylphenyl)methanol
CID 79807812
1,3-benzodioxol-5-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198322

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine (CID 79803069) is [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine is COCCc1ccc(C(N)c2cscc2C)cc1.
What is the InChIKey of [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine?
The InChIKey is NHQULVORFIXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-9-18-10-14(11)15(16)13-5-3-12(4-6-13)7-8-17-2/h3-6,9-10,15H,7-8,16H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine?
[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine has a molecular weight of 261.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 79803069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).