N'-(2-phenylmethoxyethyl)propane-1,3-diamine

C12H20N2O — CID 130536795

IUPACN'-(2-phenylmethoxyethyl)propane-1,3-diamine
SMILESNCCCNCCOCc1ccccc1
InChIInChI=1S/C12H20N2O/c13-7-4-8-14-9-10-15-11-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11,13H2
InChIKeyBHDDPBNIBNJASA-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.14
Rot. Bonds8

About N'-(2-phenylmethoxyethyl)propane-1,3-diamine

N'-(2-phenylmethoxyethyl)propane-1,3-diamine (PubChem CID 130536795) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-(2-phenylmethoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-phenylmethoxyethyl)propane-1,3-diamine
PubChem CID130536795
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN'-(2-phenylmethoxyethyl)propane-1,3-diamine
SMILESNCCCNCCOCc1ccccc1
InChIInChI=1S/C12H20N2O/c13-7-4-8-14-9-10-15-11-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11,13H2
InChIKeyBHDDPBNIBNJASA-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-phenylmethoxyethyl)propan-1-amine
CID 130537244
4-ethoxy-N-(2-phenylmethoxyethyl)butan-1-amine
CID 62564980
N-(2-phenylmethoxyethyl)hex-5-en-1-amine
CID 130560876
2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
CID 161095799
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
ethane;2-phenylmethoxyethanamine
CID 142016503
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
3-[[4-[(2-phenylmethoxyethylamino)methyl]cyclohexyl]methylamino]propan-1-ol
CID 67960829
4-phenylmethoxybutylhydrazine
CID 59281408
3-(4-phenylmethoxybutylamino)propanenitrile
CID 130774544

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylmethoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-phenylmethoxyethyl)propane-1,3-diamine (CID 130536795) is N'-(2-phenylmethoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-phenylmethoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-phenylmethoxyethyl)propane-1,3-diamine is NCCCNCCOCc1ccccc1.
What is the InChIKey of N'-(2-phenylmethoxyethyl)propane-1,3-diamine?
The InChIKey is BHDDPBNIBNJASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-7-4-8-14-9-10-15-11-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11,13H2.
What are the key properties of N'-(2-phenylmethoxyethyl)propane-1,3-diamine?
N'-(2-phenylmethoxyethyl)propane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylmethoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 130536795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).