3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide

C14H22ClN3O2 — CID 63285770

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClN3O2/c1-19-8-7-18(6-5-14(16)17)10-11-9-12(15)3-4-13(11)20-2/h3-4,9H,5-8,10H2,1-2H3,(H3,16,17)
InChIKeyHWOKNNBMYIZUKG-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.12
Rot. Bonds9

About 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide

3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide (PubChem CID 63285770) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide
PubChem CID63285770
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C14H22ClN3O2/c1-19-8-7-18(6-5-14(16)17)10-11-9-12(15)3-4-13(11)20-2/h3-4,9H,5-8,10H2,1-2H3,(H3,16,17)
InChIKeyHWOKNNBMYIZUKG-UHFFFAOYSA-N
XLogP2.12
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-[(4-chloro-2-fluorophenyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 114849629
2-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815803
3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide
CID 65317630
3-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]propanoic acid
CID 61010059
3-[2-methoxyethyl(quinolin-2-ylmethyl)amino]propanimidamide
CID 63286083
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanimidamide
CID 54993080
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 63286081
N-(2-bromoethyl)-N-[(4-chloro-2-fluorophenyl)methyl]-2-methoxyethanamine
CID 114859388
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-(5-chloro-2-methoxyphenyl)-5-methoxypentan-2-ol
CID 65091964

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide (CID 63285770) is 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)Cc1cc(Cl)ccc1OC.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide?
The InChIKey is HWOKNNBMYIZUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-19-8-7-18(6-5-14(16)17)10-11-9-12(15)3-4-13(11)20-2/h3-4,9H,5-8,10H2,1-2H3,(H3,16,17).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide?
3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide has a molecular weight of 299.80 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 63285770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).