N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine

C15H23NO2 — CID 62442654

IUPACN-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
SMILESC=CCOCCOc1ccccc1CNC(C)C
InChIInChI=1S/C15H23NO2/c1-4-9-17-10-11-18-15-8-6-5-7-14(15)12-16-13(2)3/h4-8,13,16H,1,9-12H2,2-3H3
InChIKeyQXWOPCDJUOOIRF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds9

About N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine

N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine (PubChem CID 62442654) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
PubChem CID62442654
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
SMILESC=CCOCCOc1ccccc1CNC(C)C
InChIInChI=1S/C15H23NO2/c1-4-9-17-10-11-18-15-8-6-5-7-14(15)12-16-13(2)3/h4-8,13,16H,1,9-12H2,2-3H3
InChIKeyQXWOPCDJUOOIRF-UHFFFAOYSA-N
XLogP2.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(2-propan-2-yloxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455414
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247
N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62484389
1-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 43220851
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 54954351
1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
4-methoxy-N-[(2-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 64604622
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-2-amine
CID 55160594
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine (CID 62442654) is N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine is C=CCOCCOc1ccccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is QXWOPCDJUOOIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-9-17-10-11-18-15-8-6-5-7-14(15)12-16-13(2)3/h4-8,13,16H,1,9-12H2,2-3H3.
What are the key properties of N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine?
N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62442654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).