N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine

C16H27NO4 — CID 2923613

IUPACN-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
SMILESCCOc1ccc(OCCOCCNCCCOC)cc1
InChIInChI=1S/C16H27NO4/c1-3-20-15-5-7-16(8-6-15)21-14-13-19-12-10-17-9-4-11-18-2/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyXTPVLKNZZUUJQW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.11
Rot. Bonds13

About N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine

N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine (PubChem CID 2923613) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
PubChem CID2923613
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC NameN-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
SMILESCCOc1ccc(OCCOCCNCCCOC)cc1
InChIInChI=1S/C16H27NO4/c1-3-20-15-5-7-16(8-6-15)21-14-13-19-12-10-17-9-4-11-18-2/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyXTPVLKNZZUUJQW-UHFFFAOYSA-N
XLogP2.11
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
N-[2-(4-ethoxyphenoxy)ethyl]propan-1-amine
CID 28879106
N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
CID 2299444
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine (CID 2923613) is N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine is CCOc1ccc(OCCOCCNCCCOC)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
The InChIKey is XTPVLKNZZUUJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-20-15-5-7-16(8-6-15)21-14-13-19-12-10-17-9-4-11-18-2/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine?
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 2.11, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 2923613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).