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

C18H31NO2 — CID 105035328

IUPAC1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccccc1OCCOC
InChIInChI=1S/C18H31NO2/c1-4-6-7-11-17(19-13-5-2)16-10-8-9-12-18(16)21-15-14-20-3/h8-10,12,17,19H,4-7,11,13-15H2,1-3H3
InChIKeyQPFSAECZQOFFIJ-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.33
Rot. Bonds12

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

1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine (PubChem CID 105035328) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
PubChem CID105035328
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccccc1OCCOC
InChIInChI=1S/C18H31NO2/c1-4-6-7-11-17(19-13-5-2)16-10-8-9-12-18(16)21-15-14-20-3/h8-10,12,17,19H,4-7,11,13-15H2,1-3H3
InChIKeyQPFSAECZQOFFIJ-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.33
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-propylpentan-1-amine
CID 104660428
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
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-propoxyphenyl)octylhydrazine
CID 105334374
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine (CID 105035328) is 1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine is CCCCCC(NCCC)c1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine?
The InChIKey is QPFSAECZQOFFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-6-7-11-17(19-13-5-2)16-10-8-9-12-18(16)21-15-14-20-3/h8-10,12,17,19H,4-7,11,13-15H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine?
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.33, 12 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-propylhexan-1-amine is sourced from PubChem (CID 105035328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).