N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine

C18H25NOS — CID 105035800

IUPACN-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1cc(C)c(C)s1
InChIInChI=1S/C18H25NOS/c1-5-11-20-16-10-8-7-9-15(16)18(19-6-2)17-12-13(3)14(4)21-17/h7-10,12,18-19H,5-6,11H2,1-4H3
InChIKeySOSTWJRVHGOJGT-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.85
Rot. Bonds7

About N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine

N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine (PubChem CID 105035800) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
PubChem CID105035800
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1cc(C)c(C)s1
InChIInChI=1S/C18H25NOS/c1-5-11-20-16-10-8-7-9-15(16)18(19-6-2)17-12-13(3)14(4)21-17/h7-10,12,18-19H,5-6,11H2,1-4H3
InChIKeySOSTWJRVHGOJGT-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
[(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334423
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104659903
N-[[2-(2-methoxyethoxy)phenyl]-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105035372
N-[(4,5-dimethylthiophen-2-yl)-isoquinolin-4-ylmethyl]ethanamine
CID 115856168
N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105020108
N-[(2-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115800915
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035892
N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105180804
[(5-methylthiophen-2-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 105334353

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine (CID 105035800) is N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine is CCCOc1ccccc1C(NCC)c1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
The InChIKey is SOSTWJRVHGOJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-5-11-20-16-10-8-7-9-15(16)18(19-6-2)17-12-13(3)14(4)21-17/h7-10,12,18-19H,5-6,11H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105035800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).