1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine

C14H24N4O2 — CID 116512716

IUPAC1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H24N4O2/c1-10(2)20-13-7-5-12(6-8-13)17-14(18-15)16-11(3)9-19-4/h5-8,10-11H,9,15H2,1-4H3,(H2,16,17,18)
InChIKeyFQPWUTIUJVRVSV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.74
Rot. Bonds6

About 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine

1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine (PubChem CID 116512716) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
PubChem CID116512716
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
SMILESCOCC(C)/N=C(\NN)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H24N4O2/c1-10(2)20-13-7-5-12(6-8-13)17-14(18-15)16-11(3)9-19-4/h5-8,10-11H,9,15H2,1-4H3,(H2,16,17,18)
InChIKeyFQPWUTIUJVRVSV-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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'}

Analyze 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-(1-methoxypropan-2-yl)-3-(4-methylphenyl)guanidine
CID 116512578
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine
CID 116513645
1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine
CID 116514097
1-amino-3-(4-methoxy-3-methylphenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 116513815
1-amino-2-(1-methoxypropan-2-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
CID 116514677
1-amino-2-(1-methoxypropan-2-yl)-3-(5-methyl-3-pyridinyl)guanidine
CID 107587201
1-amino-3-[4-(difluoromethoxy)phenyl]-2-(2-methoxyethyl)guanidine
CID 116513092
1-amino-3-(4-chloro-2-iodophenyl)-2-(1-methoxypropan-2-yl)guanidine
CID 107639656
N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
CID 62535634
(4-propan-2-yloxyphenyl)thiourea;hydrochloride
CID 139878067
1-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]-3-(4-propan-2-yloxyphenyl)guanidine
CID 111872125
2-tert-butyl-1-(4-propan-2-yloxyphenyl)guanidine
CID 55068406

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine?
The IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine (CID 116512716) is 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine.
What is the SMILES notation for 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine?
The canonical SMILES for 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine is COCC(C)/N=C(\NN)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine?
The InChIKey is FQPWUTIUJVRVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)20-13-7-5-12(6-8-13)17-14(18-15)16-11(3)9-19-4/h5-8,10-11H,9,15H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine?
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine has a molecular weight of 280.37 g/mol, XLogP of 1.74, 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-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine is sourced from PubChem (CID 116512716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).