N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine

C10H15ClN2O — CID 134994315

IUPACN'-[(4-chlorophenyl)methoxy]propane-1,3-diamine
SMILESNCCCNOCc1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O/c11-10-4-2-9(3-5-10)8-14-13-7-1-6-12/h2-5,13H,1,6-8,12H2
InChIKeyPQTJRZXMEGNHRA-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.71
Rot. Bonds6

About N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine

N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine (PubChem CID 134994315) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methoxy]propane-1,3-diamine
PubChem CID134994315
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC NameN'-[(4-chlorophenyl)methoxy]propane-1,3-diamine
SMILESNCCCNOCc1ccc(Cl)cc1
InChIInChI=1S/C10H15ClN2O/c11-10-4-2-9(3-5-10)8-14-13-7-1-6-12/h2-5,13H,1,6-8,12H2
InChIKeyPQTJRZXMEGNHRA-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'-[(4-chlorophenyl)methoxy]propane-1,3-diamine?
The IUPAC name of N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine (CID 134994315) is N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine.
What is the SMILES notation for N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine?
The canonical SMILES for N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine is NCCCNOCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine?
The InChIKey is PQTJRZXMEGNHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c11-10-4-2-9(3-5-10)8-14-13-7-1-6-12/h2-5,13H,1,6-8,12H2.
What are the key properties of N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine?
N'-[(4-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'-[(4-chlorophenyl)methoxy]propane-1,3-diamine is sourced from PubChem (CID 134994315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).