1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine

C17H29NO2 — CID 104660428

IUPAC1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccccc1OCCOC
InChIInChI=1S/C17H29NO2/c1-4-6-10-16(18-12-5-2)15-9-7-8-11-17(15)20-14-13-19-3/h7-9,11,16,18H,4-6,10,12-14H2,1-3H3
InChIKeyABLLLVOXPQFHND-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

About 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine

1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine (PubChem CID 104660428) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
PubChem CID104660428
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccccc1OCCOC
InChIInChI=1S/C17H29NO2/c1-4-6-10-16(18-12-5-2)15-9-7-8-11-17(15)20-14-13-19-3/h7-9,11,16,18H,4-6,10,12-14H2,1-3H3
InChIKeyABLLLVOXPQFHND-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.94
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

1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211
2-ethyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylbutan-1-amine
CID 105035375
4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
CID 105180730
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
1-(2,3-dimethoxyphenyl)-N-propylpentan-1-amine
CID 105125511
N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660475

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine (CID 104660428) is 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine is CCCCC(NCCC)c1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine?
The InChIKey is ABLLLVOXPQFHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-6-10-16(18-12-5-2)15-9-7-8-11-17(15)20-14-13-19-3/h7-9,11,16,18H,4-6,10,12-14H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine?
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine is sourced from PubChem (CID 104660428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).