N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine

C10H15ClN2O — CID 134926832

IUPACN'-[(3-chlorophenyl)methoxy]propane-1,3-diamine
SMILESNCCCNOCc1cccc(Cl)c1
InChIInChI=1S/C10H15ClN2O/c11-10-4-1-3-9(7-10)8-14-13-6-2-5-12/h1,3-4,7,13H,2,5-6,8,12H2
InChIKeyVAOMZWZRGAAOHT-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.71
Rot. Bonds6

About N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine

N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine (PubChem CID 134926832) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methoxy]propane-1,3-diamine
PubChem CID134926832
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC NameN'-[(3-chlorophenyl)methoxy]propane-1,3-diamine
SMILESNCCCNOCc1cccc(Cl)c1
InChIInChI=1S/C10H15ClN2O/c11-10-4-1-3-9(7-10)8-14-13-6-2-5-12/h1,3-4,7,13H,2,5-6,8,12H2
InChIKeyVAOMZWZRGAAOHT-UHFFFAOYSA-N
XLogP1.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine?
The IUPAC name of N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine (CID 134926832) is N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine.
What is the SMILES notation for N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine?
The canonical SMILES for N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine is NCCCNOCc1cccc(Cl)c1.
What is the InChIKey of N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine?
The InChIKey is VAOMZWZRGAAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c11-10-4-1-3-9(7-10)8-14-13-6-2-5-12/h1,3-4,7,13H,2,5-6,8,12H2.
What are the key properties of N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine?
N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine is sourced from PubChem (CID 134926832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).