N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine

C17H29NO2 — CID 115465015

IUPACN-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccccc1COCCOCCC
InChIInChI=1S/C17H29NO2/c1-3-10-18-11-9-16-7-5-6-8-17(16)15-20-14-13-19-12-4-2/h5-8,18H,3-4,9-15H2,1-2H3
InChIKeyHHCNXSQRTSQPPV-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.17
Rot. Bonds12

About N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine

N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine (PubChem CID 115465015) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine
PubChem CID115465015
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccccc1COCCOCCC
InChIInChI=1S/C17H29NO2/c1-3-10-18-11-9-16-7-5-6-8-17(16)15-20-14-13-19-12-4-2/h5-8,18H,3-4,9-15H2,1-2H3
InChIKeyHHCNXSQRTSQPPV-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.17
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

N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115465016
2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
N-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 113314833
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
CID 115464625
3-[[2-[2-(ethylamino)ethyl]phenyl]methoxy]-N,N-dimethylpropan-1-amine
CID 115464856
N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine
CID 106667842
N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]ethyl]propan-1-amine
CID 115464435
5-[(2-fluorophenyl)methoxy]-N-propylpentan-1-amine
CID 63937972
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
N-ethyl-2-[2-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103285684

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine (CID 115465015) is N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine is CCCNCCc1ccccc1COCCOCCC.
What is the InChIKey of N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is HHCNXSQRTSQPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-10-18-11-9-16-7-5-6-8-17(16)15-20-14-13-19-12-4-2/h5-8,18H,3-4,9-15H2,1-2H3.
What are the key properties of N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine?
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.17, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115465015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).