1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine

C13H22N4O — CID 102909060

IUPAC1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccccc1CCOC
InChIInChI=1S/C13H22N4O/c1-3-9-15-13(17-14)16-12-7-5-4-6-11(12)8-10-18-2/h4-7H,3,8-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyKMRSSTKRBUDTBX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.52
Rot. Bonds6

About 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine

1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine (PubChem CID 102909060) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine
PubChem CID102909060
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1ccccc1CCOC
InChIInChI=1S/C13H22N4O/c1-3-9-15-13(17-14)16-12-7-5-4-6-11(12)8-10-18-2/h4-7H,3,8-10,14H2,1-2H3,(H2,15,16,17)
InChIKeyKMRSSTKRBUDTBX-UHFFFAOYSA-N
XLogP1.52
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-amino-2-butyl-3-[2-(2-methoxyethyl)phenyl]guanidine
CID 102909057
1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine
CID 116511618
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-butyl-3-(2-methoxyphenyl)guanidine
CID 116511512
1-amino-3-[2-(difluoromethylsulfanyl)phenyl]-2-propylguanidine
CID 116511816
ethyl 2-[[2-(2-methoxyethyl)phenyl]carbamoylamino]acetate
CID 102907562
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
1-amino-3-(3-fluoro-2-iodophenyl)-2-(2-methoxyethyl)guanidine
CID 114261793
1-amino-3-(2-bromophenyl)-2-butylguanidine
CID 116512329
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine
CID 116511453

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine?
The IUPAC name of 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine (CID 102909060) is 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine.
What is the SMILES notation for 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine?
The canonical SMILES for 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine is CCC/N=C(\NN)Nc1ccccc1CCOC.
What is the InChIKey of 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine?
The InChIKey is KMRSSTKRBUDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-9-15-13(17-14)16-12-7-5-4-6-11(12)8-10-18-2/h4-7H,3,8-10,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine?
1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine has a molecular weight of 250.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(2-methoxyethyl)phenyl]-2-propylguanidine is sourced from PubChem (CID 102909060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).