N'-ethylpropane-1,3-diamine;2-methoxyphenol

C12H22N2O2 — CID 175514444

IUPACN'-ethylpropane-1,3-diamine;2-methoxyphenol
SMILESCCNCCCN.COc1ccccc1O
InChIInChI=1S/C7H8O2.C5H14N2/c1-9-7-5-3-2-4-6(7)8;1-2-7-5-3-4-6/h2-5,8H,1H3;7H,2-6H2,1H3
InChIKeyZDHKYXZWZXCHHX-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.35
Rot. Bonds5

About N'-ethylpropane-1,3-diamine;2-methoxyphenol

N'-ethylpropane-1,3-diamine;2-methoxyphenol (PubChem CID 175514444) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-ethylpropane-1,3-diamine;2-methoxyphenol.

Molecular Properties

Compound NameN'-ethylpropane-1,3-diamine;2-methoxyphenol
PubChem CID175514444
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN'-ethylpropane-1,3-diamine;2-methoxyphenol
SMILESCCNCCCN.COc1ccccc1O
InChIInChI=1S/C7H8O2.C5H14N2/c1-9-7-5-3-2-4-6(7)8;1-2-7-5-3-4-6/h2-5,8H,1H3;7H,2-6H2,1H3
InChIKeyZDHKYXZWZXCHHX-UHFFFAOYSA-N
XLogP1.35
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethylpropane-1,3-diamine;2-methoxyphenol?
The IUPAC name of N'-ethylpropane-1,3-diamine;2-methoxyphenol (CID 175514444) is N'-ethylpropane-1,3-diamine;2-methoxyphenol.
What is the SMILES notation for N'-ethylpropane-1,3-diamine;2-methoxyphenol?
The canonical SMILES for N'-ethylpropane-1,3-diamine;2-methoxyphenol is CCNCCCN.COc1ccccc1O.
What is the InChIKey of N'-ethylpropane-1,3-diamine;2-methoxyphenol?
The InChIKey is ZDHKYXZWZXCHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C5H14N2/c1-9-7-5-3-2-4-6(7)8;1-2-7-5-3-4-6/h2-5,8H,1H3;7H,2-6H2,1H3.
What are the key properties of N'-ethylpropane-1,3-diamine;2-methoxyphenol?
N'-ethylpropane-1,3-diamine;2-methoxyphenol has a molecular weight of 226.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylpropane-1,3-diamine;2-methoxyphenol is sourced from PubChem (CID 175514444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).