N'-phenylmethoxypropane-1,3-diamine

C10H16N2O — CID 13417365

IUPACN'-phenylmethoxypropane-1,3-diamine
SMILESNCCCNOCc1ccccc1
InChIInChI=1S/C10H16N2O/c11-7-4-8-12-13-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2
InChIKeySTADSVAXMTZWAQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.06
Rot. Bonds6

About N'-phenylmethoxypropane-1,3-diamine

N'-phenylmethoxypropane-1,3-diamine (PubChem CID 13417365) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-phenylmethoxypropane-1,3-diamine.

Molecular Properties

Compound NameN'-phenylmethoxypropane-1,3-diamine
PubChem CID13417365
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN'-phenylmethoxypropane-1,3-diamine
SMILESNCCCNOCc1ccccc1
InChIInChI=1S/C10H16N2O/c11-7-4-8-12-13-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2
InChIKeySTADSVAXMTZWAQ-UHFFFAOYSA-N
XLogP1.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.06
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'-phenylmethoxypropane-1,3-diamine?
The IUPAC name of N'-phenylmethoxypropane-1,3-diamine (CID 13417365) is N'-phenylmethoxypropane-1,3-diamine.
What is the SMILES notation for N'-phenylmethoxypropane-1,3-diamine?
The canonical SMILES for N'-phenylmethoxypropane-1,3-diamine is NCCCNOCc1ccccc1.
What is the InChIKey of N'-phenylmethoxypropane-1,3-diamine?
The InChIKey is STADSVAXMTZWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-7-4-8-12-13-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2.
What are the key properties of N'-phenylmethoxypropane-1,3-diamine?
N'-phenylmethoxypropane-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylmethoxypropane-1,3-diamine is sourced from PubChem (CID 13417365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).