N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine

C15H25NO2 — CID 82353979

IUPACN-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
SMILESCNCCOCCCOc1cccc(C(C)C)c1
InChIInChI=1S/C15H25NO2/c1-13(2)14-6-4-7-15(12-14)18-10-5-9-17-11-8-16-3/h4,6-7,12-13,16H,5,8-11H2,1-3H3
InChIKeyROMHRVSYYFLFPN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.81
Rot. Bonds9

About N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine

N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine (PubChem CID 82353979) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
PubChem CID82353979
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
SMILESCNCCOCCCOc1cccc(C(C)C)c1
InChIInChI=1S/C15H25NO2/c1-13(2)14-6-4-7-15(12-14)18-10-5-9-17-11-8-16-3/h4,6-7,12-13,16H,5,8-11H2,1-3H3
InChIKeyROMHRVSYYFLFPN-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.81
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

2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
CID 62572262
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N-methyl-2-[3-(3-methylphenoxy)propoxy]ethanamine
CID 82353159
3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2280964
1-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine
CID 82353726
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
1-bromo-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 60627673
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine?
The IUPAC name of N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine (CID 82353979) is N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine?
The canonical SMILES for N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine is CNCCOCCCOc1cccc(C(C)C)c1.
What is the InChIKey of N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine?
The InChIKey is ROMHRVSYYFLFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)14-6-4-7-15(12-14)18-10-5-9-17-11-8-16-3/h4,6-7,12-13,16H,5,8-11H2,1-3H3.
What are the key properties of N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine?
N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine is sourced from PubChem (CID 82353979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).