2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine

C16H27NO2 — CID 105349563

IUPAC2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COCCOC)cc1
InChIInChI=1S/C16H27NO2/c1-4-9-17-12-14(2)16-7-5-15(6-8-16)13-19-11-10-18-3/h5-8,14,17H,4,9-13H2,1-3H3
InChIKeyPOIGDNWUCFSFBM-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.95
Rot. Bonds10

About 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine

2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 105349563) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
PubChem CID105349563
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNCC(C)c1ccc(COCCOC)cc1
InChIInChI=1S/C16H27NO2/c1-4-9-17-12-14(2)16-7-5-15(6-8-16)13-19-11-10-18-3/h5-8,14,17H,4,9-13H2,1-3H3
InChIKeyPOIGDNWUCFSFBM-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722
2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[4-(furan-2-ylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349096
2-[4-(2-methylbutan-2-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349742
1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 118325862
N-propyl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351075
2-[4-(oxetan-3-yloxymethyl)phenyl]-N-propylpropan-1-amine
CID 102608263
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine
CID 105350650
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
CID 105349537
4-(2-methoxyethoxy)-2-(4-methylphenyl)-N-propylbutan-1-amine
CID 79436715

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine (CID 105349563) is 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine is CCCNCC(C)c1ccc(COCCOC)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is POIGDNWUCFSFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-9-17-12-14(2)16-7-5-15(6-8-16)13-19-11-10-18-3/h5-8,14,17H,4,9-13H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine?
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 105349563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).