1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine

C14H24N4O2 — CID 116515721

IUPAC1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/C(C)c1ccc(OC)cc1)NN
InChIInChI=1S/C14H24N4O2/c1-10(9-19-3)16-14(18-15)17-11(2)12-5-7-13(20-4)8-6-12/h5-8,10-11H,9,15H2,1-4H3,(H2,16,17,18)
InChIKeyWYGWZYYBFRUNHS-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.20
Rot. Bonds6

About 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine

1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine (PubChem CID 116515721) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
PubChem CID116515721
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(=N/C(C)c1ccc(OC)cc1)NN
InChIInChI=1S/C14H24N4O2/c1-10(9-19-3)16-14(18-15)17-11(2)12-5-7-13(20-4)8-6-12/h5-8,10-11H,9,15H2,1-4H3,(H2,16,17,18)
InChIKeyWYGWZYYBFRUNHS-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[3-(4-methoxyphenyl)butyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111773924
1-amino-2-[(3,4-dimethoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)guanidine
CID 116513322
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 81371403
1-amino-3-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 116513489
1-amino-3-(1-methoxypropan-2-yl)-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 116513657
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 116513759
1-amino-2-butyl-3-(1-methoxypropan-2-yl)guanidine
CID 104882948
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111236908
1-amino-3-(1-methoxypropan-2-yl)-2-(1H-pyrazol-4-ylmethyl)guanidine
CID 104885568
1-amino-2-[2-(diethylamino)ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 104882891
1-ethyl-2-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111967239
1-amino-2-[(3-chloro-4-fluorophenyl)methyl]-3-(1-methoxypropan-2-yl)guanidine
CID 116511059

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine (CID 116515721) is 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine is COCC(C)N/C(=N/C(C)c1ccc(OC)cc1)NN.
What is the InChIKey of 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
The InChIKey is WYGWZYYBFRUNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(9-19-3)16-14(18-15)17-11(2)12-5-7-13(20-4)8-6-12/h5-8,10-11H,9,15H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine?
1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine has a molecular weight of 280.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[1-(4-methoxyphenyl)ethyl]-3-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 116515721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).