3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine

C20H27N3OS — CID 147077581

IUPAC3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine
SMILESC/N=C(\C=CN)C(OCCN(C)C(C)c1ccccc1)c1cccs1
InChIInChI=1S/C20H27N3OS/c1-16(17-8-5-4-6-9-17)23(3)13-14-24-20(18(22-2)11-12-21)19-10-7-15-25-19/h4-12,15-16,20H,13-14,21H2,1-3H3/b12-11?,22-18+
InChIKeyRIKFSMXVMXOEEN-JKBAYJLZSA-N
MW357.52 g/mol
LogP4.04
Rot. Bonds9

About 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine

3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine (PubChem CID 147077581) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine
PubChem CID147077581
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine
SMILESC/N=C(\C=CN)C(OCCN(C)C(C)c1ccccc1)c1cccs1
InChIInChI=1S/C20H27N3OS/c1-16(17-8-5-4-6-9-17)23(3)13-14-24-20(18(22-2)11-12-21)19-10-7-15-25-19/h4-12,15-16,20H,13-14,21H2,1-3H3/b12-11?,22-18+
InChIKeyRIKFSMXVMXOEEN-JKBAYJLZSA-N
XLogP4.04
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(3-Fluorophenyl)methyl-methylamino]ethoxy]-3-methylimino-4-(3-methylthiophen-2-yl)but-1-en-1-amine
CID 147856121
[1-[2-[(3-Fluorophenyl)methyl-methylamino]ethoxy]-4-imino-1-(3-methylthiophen-2-yl)but-2-en-2-yl]-methylazanium
CID 163630641
N-benzhydryl-2-[(3-methylthiophen-2-yl)methoxy]ethanamine
CID 123703627
3-Methylimino-4-[2-[methyl-[(3-methylphenyl)methyl]amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine
CID 147322080
N-[2-(1-phenylethoxy)ethyl]-1-thiophen-2-ylethanamine
CID 55088199
2-(1-phenylethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62565986
N-[(3-methylthiophen-2-yl)methyl]-2-(1-phenylethoxy)ethanamine
CID 62566172
3-Methyl-5-phenyl-2-thiophen-2-ylmorpholine
CID 63184115
2-(3-Methylthiophen-2-yl)-5-phenylmorpholine
CID 63991476
N-ethyl-2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethanamine
CID 102834048
N-[2-methoxy-1-(2-methylthiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 102834050
2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine
CID 102834053

Frequently Asked Questions

What is the IUPAC name of 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine?
The IUPAC name of 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine (CID 147077581) is 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine.
What is the SMILES notation for 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine?
The canonical SMILES for 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine is C/N=C(\C=CN)C(OCCN(C)C(C)c1ccccc1)c1cccs1.
What is the InChIKey of 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine?
The InChIKey is RIKFSMXVMXOEEN-JKBAYJLZSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-16(17-8-5-4-6-9-17)23(3)13-14-24-20(18(22-2)11-12-21)19-10-7-15-25-19/h4-12,15-16,20H,13-14,21H2,1-3H3/b12-11?,22-18+.
What are the key properties of 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine?
3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine has a molecular weight of 357.52 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-4-[2-[methyl(1-phenylethyl)amino]ethoxy]-4-thiophen-2-ylbut-1-en-1-amine is sourced from PubChem (CID 147077581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).