1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine

C15H25NO3 — CID 60906244

IUPAC1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
SMILESCCCOc1ccc(CC(C)N)c(OCCOC)c1
InChIInChI=1S/C15H25NO3/c1-4-7-18-14-6-5-13(10-12(2)16)15(11-14)19-9-8-17-3/h5-6,11-12H,4,7-10,16H2,1-3H3
InChIKeyGKVCSLJHIFGPEG-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.39
Rot. Bonds9

About 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine

1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine (PubChem CID 60906244) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
PubChem CID60906244
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
SMILESCCCOc1ccc(CC(C)N)c(OCCOC)c1
InChIInChI=1S/C15H25NO3/c1-4-7-18-14-6-5-13(10-12(2)16)15(11-14)19-9-8-17-3/h5-6,11-12H,4,7-10,16H2,1-3H3
InChIKeyGKVCSLJHIFGPEG-UHFFFAOYSA-N
XLogP2.39
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.39
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-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
CID 43472455
1-(2-but-2-ynoxy-4-propoxyphenyl)propan-2-amine
CID 62311403
1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]propan-2-amine
CID 54930737
1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 103411540
3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
CID 60925622
1-[2-(4-propoxyphenoxy)phenyl]propan-2-amine
CID 63815038
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
CID 107137097
1-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]-4-propoxybenzene
CID 106453976

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine (CID 60906244) is 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine is CCCOc1ccc(CC(C)N)c(OCCOC)c1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine?
The InChIKey is GKVCSLJHIFGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-7-18-14-6-5-13(10-12(2)16)15(11-14)19-9-8-17-3/h5-6,11-12H,4,7-10,16H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine?
1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine is sourced from PubChem (CID 60906244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).