1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

C18H25NS — CID 79985540

IUPAC1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2sccc2CC)cc1
InChIInChI=1S/C18H25NS/c1-4-6-7-14-8-10-16(11-9-14)17(19-3)18-15(5-2)12-13-20-18/h8-13,17,19H,4-7H2,1-3H3
InChIKeyGCBSOCZSKREVIK-UHFFFAOYSA-N
MW287.47 g/mol
LogP4.96
Rot. Bonds7

About 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine

1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 79985540) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID79985540
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2sccc2CC)cc1
InChIInChI=1S/C18H25NS/c1-4-6-7-14-8-10-16(11-9-14)17(19-3)18-15(5-2)12-13-20-18/h8-13,17,19H,4-7H2,1-3H3
InChIKeyGCBSOCZSKREVIK-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022948
1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791857
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79985054
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985787
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 43484310
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484333
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798023
1-(3-ethylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105018995
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151645
1-[4-(2-methoxyethyl)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127265
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985465

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine (CID 79985540) is 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is CCCCc1ccc(C(NC)c2sccc2CC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is GCBSOCZSKREVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-4-6-7-14-8-10-16(11-9-14)17(19-3)18-15(5-2)12-13-20-18/h8-13,17,19H,4-7H2,1-3H3.
What are the key properties of 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine?
1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 287.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79985540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).