1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

C18H23NS — CID 105044930

IUPAC1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(C3CCC3)cc2)s1
InChIInChI=1S/C18H23NS/c1-3-16-11-12-17(20-16)18(19-2)15-9-7-14(8-10-15)13-5-4-6-13/h7-13,18-19H,3-6H2,1-2H3
InChIKeyBJDLXGVBSDKYTA-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.89
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 105044930) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID105044930
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(C3CCC3)cc2)s1
InChIInChI=1S/C18H23NS/c1-3-16-11-12-17(20-16)18(19-2)15-9-7-14(8-10-15)13-5-4-6-13/h7-13,18-19H,3-6H2,1-2H3
InChIKeyBJDLXGVBSDKYTA-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43480803
1-(4-cyclobutylphenyl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 105045096
1-(4-cyclobutylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105044978
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
1-(4-cyclobutylphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 116506024
1-(4-cyclobutylphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105045036
1-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841821
N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105044884
1-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43480785
1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480738
2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
CID 61082733
[(5-ethylthiophen-2-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105284022

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (CID 105044930) is 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2ccc(C3CCC3)cc2)s1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is BJDLXGVBSDKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-3-16-11-12-17(20-16)18(19-2)15-9-7-14(8-10-15)13-5-4-6-13/h7-13,18-19H,3-6H2,1-2H3.
What are the key properties of 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105044930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).