N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine

C16H28N2O — CID 64585765

IUPACN'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine
SMILESCCCCN(CCCNCCOC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-3-4-13-18(16-9-6-5-7-10-16)14-8-11-17-12-15-19-2/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3
InChIKeyNXACBFLETBPPBE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.92
Rot. Bonds11

About N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine

N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine (PubChem CID 64585765) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine
PubChem CID64585765
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine
SMILESCCCCN(CCCNCCOC)c1ccccc1
InChIInChI=1S/C16H28N2O/c1-3-4-13-18(16-9-6-5-7-10-16)14-8-11-17-12-15-19-2/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3
InChIKeyNXACBFLETBPPBE-UHFFFAOYSA-N
XLogP2.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 164933283
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 62569298
N'-butyl-N-methyl-N'-phenylpentane-1,5-diamine
CID 64584472
2-[N-(4-methoxybutyl)anilino]ethanol
CID 111544024
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
CID 54806414
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
N-(2-methoxyethyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65486266
1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942288
N-(3-fluoropropyl)-N-(3-methoxypropyl)aniline
CID 155270742
N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
CID 64585447

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine (CID 64585765) is N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine is CCCCN(CCCNCCOC)c1ccccc1.
What is the InChIKey of N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine?
The InChIKey is NXACBFLETBPPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-4-13-18(16-9-6-5-7-10-16)14-8-11-17-12-15-19-2/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3.
What are the key properties of N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine?
N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.92, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(2-methoxyethyl)-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 64585765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).