N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine

C17H29NO3 — CID 102928428

IUPACN-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCCNC(CCOCCOC)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H29NO3/c1-5-18-17(9-10-20-12-11-19-4)15-7-6-8-16(13-15)21-14(2)3/h6-8,13-14,17-18H,5,9-12H2,1-4H3
InChIKeyJSMTZUWSSXWXLL-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.18
Rot. Bonds11

About N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine

N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 102928428) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
PubChem CID102928428
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCCNC(CCOCCOC)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H29NO3/c1-5-18-17(9-10-20-12-11-19-4)15-7-6-8-16(13-15)21-14(2)3/h6-8,13-14,17-18H,5,9-12H2,1-4H3
InChIKeyJSMTZUWSSXWXLL-UHFFFAOYSA-N
XLogP3.18
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.18
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

N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 102928317
3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 102927565
1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928516
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638
N-ethyl-3-methyl-1-(3-propan-2-yloxyphenyl)hexan-1-amine
CID 115845454
N-ethyl-3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-amine
CID 55095072
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine
CID 105171328
3-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105176221
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine (CID 102928428) is N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine is CCNC(CCOCCOC)c1cccc(OC(C)C)c1.
What is the InChIKey of N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is JSMTZUWSSXWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-18-17(9-10-20-12-11-19-4)15-7-6-8-16(13-15)21-14(2)3/h6-8,13-14,17-18H,5,9-12H2,1-4H3.
What are the key properties of N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine?
N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 102928428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).