1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine

C19H27N3O2S — CID 111967239

IUPAC1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCCN/C(=N\Cc1ccc(-c2ccc(OC)cc2)s1)NC(C)COC
InChIInChI=1S/C19H27N3O2S/c1-5-20-19(22-14(2)13-23-3)21-12-17-10-11-18(25-17)15-6-8-16(24-4)9-7-15/h6-11,14H,5,12-13H2,1-4H3,(H2,20,21,22)
InChIKeyNSNSJCRAAVPUGB-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.51
Rot. Bonds8

About 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine

1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 111967239) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine
PubChem CID111967239
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCCN/C(=N\Cc1ccc(-c2ccc(OC)cc2)s1)NC(C)COC
InChIInChI=1S/C19H27N3O2S/c1-5-20-19(22-14(2)13-23-3)21-12-17-10-11-18(25-17)15-6-8-16(24-4)9-7-15/h6-11,14H,5,12-13H2,1-4H3,(H2,20,21,22)
InChIKeyNSNSJCRAAVPUGB-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111235838
1-ethyl-2-[3-(4-methoxyphenyl)butyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111773924
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(3-propan-2-yloxyphenyl)methyl]guanidine
CID 111237217
1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126408
2-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236042
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111236908
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111513091
2-[(4-chlorophenyl)methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111237813
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111237091
1-amino-3-(1-methoxypropan-2-yl)-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 116513657
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine (CID 111967239) is 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine is CCN/C(=N\Cc1ccc(-c2ccc(OC)cc2)s1)NC(C)COC.
What is the InChIKey of 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is NSNSJCRAAVPUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-5-20-19(22-14(2)13-23-3)21-12-17-10-11-18(25-17)15-6-8-16(24-4)9-7-15/h6-11,14H,5,12-13H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine?
1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 361.51 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 111967239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).