3-phenylmethoxypropane-1,2-diamine

C10H16N2O — CID 14316768

IUPAC3-phenylmethoxypropane-1,2-diamine
SMILESNCC(N)COCc1ccccc1
InChIInChI=1S/C10H16N2O/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10H,6-8,11-12H2
InChIKeyDXIGRVGFGIFMHV-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.49
Rot. Bonds5

About 3-phenylmethoxypropane-1,2-diamine

3-phenylmethoxypropane-1,2-diamine (PubChem CID 14316768) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-phenylmethoxypropane-1,2-diamine.

Molecular Properties

Compound Name3-phenylmethoxypropane-1,2-diamine
PubChem CID14316768
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-phenylmethoxypropane-1,2-diamine
SMILESNCC(N)COCc1ccccc1
InChIInChI=1S/C10H16N2O/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10H,6-8,11-12H2
InChIKeyDXIGRVGFGIFMHV-UHFFFAOYSA-N
XLogP0.49
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxypropane-1,2-diamine?
The IUPAC name of 3-phenylmethoxypropane-1,2-diamine (CID 14316768) is 3-phenylmethoxypropane-1,2-diamine.
What is the SMILES notation for 3-phenylmethoxypropane-1,2-diamine?
The canonical SMILES for 3-phenylmethoxypropane-1,2-diamine is NCC(N)COCc1ccccc1.
What is the InChIKey of 3-phenylmethoxypropane-1,2-diamine?
The InChIKey is DXIGRVGFGIFMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10H,6-8,11-12H2.
What are the key properties of 3-phenylmethoxypropane-1,2-diamine?
3-phenylmethoxypropane-1,2-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxypropane-1,2-diamine is sourced from PubChem (CID 14316768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).