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

C19H25NS — CID 105044884

IUPACN-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1cc(C)c(C)s1
InChIInChI=1S/C19H25NS/c1-4-20-19(18-12-13(2)14(3)21-18)17-10-8-16(9-11-17)15-6-5-7-15/h8-12,15,19-20H,4-7H2,1-3H3
InChIKeyJKYWXKRHHTYVFW-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.33
Rot. Bonds5

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

N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine (PubChem CID 105044884) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
PubChem CID105044884
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)c1cc(C)c(C)s1
InChIInChI=1S/C19H25NS/c1-4-20-19(18-12-13(2)14(3)21-18)17-10-8-16(9-11-17)15-6-5-7-15/h8-12,15,19-20H,4-7H2,1-3H3
InChIKeyJKYWXKRHHTYVFW-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 105051409
N-[(4-cyclobutylphenyl)-(3-methylfuran-2-yl)methyl]ethanamine
CID 116506465
N-[(4,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115850996
N-[(4-cyclobutylphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 105044981
[(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 105341956
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 114602617
N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115851555
N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923880
N-[(4-cyclobutylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 116506103
N-[(5-bromofuran-2-yl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 105045025
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790
N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 116506363

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine (CID 105044884) is N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)c1cc(C)c(C)s1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is JKYWXKRHHTYVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-20-19(18-12-13(2)14(3)21-18)17-10-8-16(9-11-17)15-6-5-7-15/h8-12,15,19-20H,4-7H2,1-3H3.
What are the key properties of N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine?
N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 299.48 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 105044884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).