3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide

C14H23N3O2 — CID 62779599

IUPAC3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(C)CC(O)COC
InChIInChI=1S/C14H23N3O2/c1-17(9-12(18)10-19-2)13(8-14(15)16)11-6-4-3-5-7-11/h3-7,12-13,18H,8-10H2,1-2H3,(H3,15,16)
InChIKeyZDYKTQJTOLNPLP-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.99
Rot. Bonds8

About 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide

3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide (PubChem CID 62779599) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide
PubChem CID62779599
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide
SMILES[H]/N=C(\N)CC(c1ccccc1)N(C)CC(O)COC
InChIInChI=1S/C14H23N3O2/c1-17(9-12(18)10-19-2)13(8-14(15)16)11-6-4-3-5-7-11/h3-7,12-13,18H,8-10H2,1-2H3,(H3,15,16)
InChIKeyZDYKTQJTOLNPLP-UHFFFAOYSA-N
XLogP0.99
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
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

3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanimidamide
CID 62778596
3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 55117825
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N,2-diphenylacetamide
CID 111543934
3-[methyl-(1-methylpiperidin-4-yl)amino]-3-phenylpropanimidamide
CID 62779255
3-phenylbutanimidamide;hydrochloride
CID 69158161
3-hydroxy-4-phenoxybutanimidamide
CID 83814373
3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 62778447
3-(4-methylpentoxy)-3-phenylpropanimidamide
CID 115002951
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-3-phenylpropanimidamide
CID 79477086
3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
CID 62779626
5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
CID 113321215
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanimidamide
CID 107480304

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide?
The IUPAC name of 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide (CID 62779599) is 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide.
What is the SMILES notation for 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide?
The canonical SMILES for 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide is [H]/N=C(\N)CC(c1ccccc1)N(C)CC(O)COC.
What is the InChIKey of 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide?
The InChIKey is ZDYKTQJTOLNPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(9-12(18)10-19-2)13(8-14(15)16)11-6-4-3-5-7-11/h3-7,12-13,18H,8-10H2,1-2H3,(H3,15,16).
What are the key properties of 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide?
3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide has a molecular weight of 265.36 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-phenylpropanimidamide is sourced from PubChem (CID 62779599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).