[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine

C15H19NOS — CID 80729897

IUPAC[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCCc1cccc(OCc2cc(CN)sc2C)c1
InChIInChI=1S/C15H19NOS/c1-3-12-5-4-6-14(7-12)17-10-13-8-15(9-16)18-11(13)2/h4-8H,3,9-10,16H2,1-2H3
InChIKeyOWKUBKSEIDPJGR-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.66
Rot. Bonds5

About [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine

[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine (PubChem CID 80729897) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
PubChem CID80729897
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCCc1cccc(OCc2cc(CN)sc2C)c1
InChIInChI=1S/C15H19NOS/c1-3-12-5-4-6-14(7-12)17-10-13-8-15(9-16)18-11(13)2/h4-8H,3,9-10,16H2,1-2H3
InChIKeyOWKUBKSEIDPJGR-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729482
[4-[(3,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80734356
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-5-methylthiophen-2-yl]methanamine
CID 80723273
[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733329
[4-[(4-chloro-3-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 82727142
[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729570
4-[(3-ethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482207
3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
CID 107347892
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64765116
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine (CID 80729897) is [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine is CCc1cccc(OCc2cc(CN)sc2C)c1.
What is the InChIKey of [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The InChIKey is OWKUBKSEIDPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-12-5-4-6-14(7-12)17-10-13-8-15(9-16)18-11(13)2/h4-8H,3,9-10,16H2,1-2H3.
What are the key properties of [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine has a molecular weight of 261.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 80729897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).