1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine

C19H25N3OS — CID 111818134

IUPAC1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CC2(c3cccs3)CCCCC2)cc1
InChIInChI=1S/C19H25N3OS/c1-23-16-9-7-15(8-10-16)22-18(20)21-14-19(11-3-2-4-12-19)17-6-5-13-24-17/h5-10,13H,2-4,11-12,14H2,1H3,(H3,20,21,22)
InChIKeyJYECGQPZNUNFPK-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine

1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine (PubChem CID 111818134) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
PubChem CID111818134
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CC2(c3cccs3)CCCCC2)cc1
InChIInChI=1S/C19H25N3OS/c1-23-16-9-7-15(8-10-16)22-18(20)21-14-19(11-3-2-4-12-19)17-6-5-13-24-17/h5-10,13H,2-4,11-12,14H2,1H3,(H3,20,21,22)
InChIKeyJYECGQPZNUNFPK-UHFFFAOYSA-N
XLogP4.39
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3,4-dimethoxyphenyl)-2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]guanidine
CID 111081360
2-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 110033256
1-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812062
1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 110031366
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)guanidine
CID 111028142
2-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111805275
2-[(1-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111078425
4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]oxane-4-carboxamide
CID 119119363
2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
CID 111081352
2-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111068051
2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111081304
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine (CID 111818134) is 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine is COc1ccc(N/C(N)=N/CC2(c3cccs3)CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
The InChIKey is JYECGQPZNUNFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-23-16-9-7-15(8-10-16)22-18(20)21-14-19(11-3-2-4-12-19)17-6-5-13-24-17/h5-10,13H,2-4,11-12,14H2,1H3,(H3,20,21,22).
What are the key properties of 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine?
1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine has a molecular weight of 343.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 111818134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).