1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine

C17H29NO2 — CID 115995694

IUPAC1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCCOCCC
InChIInChI=1S/C17H29NO2/c1-4-11-18-16(6-3)15-9-7-8-10-17(15)20-14-13-19-12-5-2/h7-10,16,18H,4-6,11-14H2,1-3H3
InChIKeyRPPFWJZOIKLIFS-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.94
Rot. Bonds11

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

1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine (PubChem CID 115995694) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
PubChem CID115995694
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCCOCCC
InChIInChI=1S/C17H29NO2/c1-4-11-18-16(6-3)15-9-7-8-10-17(15)20-14-13-19-12-5-2/h7-10,16,18H,4-6,11-14H2,1-3H3
InChIKeyRPPFWJZOIKLIFS-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-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine
CID 102740250
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
CID 105180730
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine (CID 115995694) is 1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1OCCOCCC.
What is the InChIKey of 1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine?
The InChIKey is RPPFWJZOIKLIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-11-18-16(6-3)15-9-7-8-10-17(15)20-14-13-19-12-5-2/h7-10,16,18H,4-6,11-14H2,1-3H3.
What are the key properties of 1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine?
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-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-propoxyethoxy)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115995694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).