N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine

C17H29NO3 — CID 65176071

IUPACN-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
SMILESCCCOc1ccc(CNCC)c(OCCCOCC)c1
InChIInChI=1S/C17H29NO3/c1-4-10-20-16-9-8-15(14-18-5-2)17(13-16)21-12-7-11-19-6-3/h8-9,13,18H,4-7,10-12,14H2,1-3H3
InChIKeyJLFUZDXLTVJAKC-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.39
Rot. Bonds12

About N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine

N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine (PubChem CID 65176071) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
PubChem CID65176071
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
SMILESCCCOc1ccc(CNCC)c(OCCCOCC)c1
InChIInChI=1S/C17H29NO3/c1-4-10-20-16-9-8-15(14-18-5-2)17(13-16)21-12-7-11-19-6-3/h8-9,13,18H,4-7,10-12,14H2,1-3H3
InChIKeyJLFUZDXLTVJAKC-UHFFFAOYSA-N
XLogP3.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.39
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

1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072
1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
CID 60887844
N-[[2-(2-ethoxyethoxy)-4-propoxyphenyl]methyl]cyclopropanamine
CID 43472532
1-cyclopropyl-N-[(2,4-dibutoxyphenyl)methyl]methanamine
CID 54805012
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
N-[[2,4-bis(2-ethoxyethoxy)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54804024
N-[(2,4-dioctoxyphenyl)methyl]butan-1-amine
CID 54804875
N-[[2-(3-methylbut-2-enoxy)-4-propoxyphenyl]methyl]propan-1-amine
CID 63500456
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine (CID 65176071) is N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine is CCCOc1ccc(CNCC)c(OCCCOCC)c1.
What is the InChIKey of N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine?
The InChIKey is JLFUZDXLTVJAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-4-10-20-16-9-8-15(14-18-5-2)17(13-16)21-12-7-11-19-6-3/h8-9,13,18H,4-7,10-12,14H2,1-3H3.
What are the key properties of N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine?
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine has a molecular weight of 295.42 g/mol, XLogP of 3.39, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 65176071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).