N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine

C16H27NO3 — CID 2276677

IUPACN-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOCCOc1c(C)cccc1C
InChIInChI=1S/C16H27NO3/c1-14-6-4-7-15(2)16(14)20-13-12-19-11-9-17-8-5-10-18-3/h4,6-7,17H,5,8-13H2,1-3H3
InChIKeyOHORDPUOUQTXSC-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.32
Rot. Bonds11

About N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine

N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine (PubChem CID 2276677) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
PubChem CID2276677
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOCCOc1c(C)cccc1C
InChIInChI=1S/C16H27NO3/c1-14-6-4-7-15(2)16(14)20-13-12-19-11-9-17-8-5-10-18-3/h4,6-7,17H,5,8-13H2,1-3H3
InChIKeyOHORDPUOUQTXSC-UHFFFAOYSA-N
XLogP2.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
N-[2-(2,6-dimethylphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 60686608
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
N-[2-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 134464806
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2280964
N-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2869886
3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2298387
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine (CID 2276677) is N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine is COCCCNCCOCCOc1c(C)cccc1C.
What is the InChIKey of N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
The InChIKey is OHORDPUOUQTXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-14-6-4-7-15(2)16(14)20-13-12-19-11-9-17-8-5-10-18-3/h4,6-7,17H,5,8-13H2,1-3H3.
What are the key properties of N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.32, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 2276677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).