2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine

C16H25NO3 — CID 102608164

IUPAC2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(OCCOC2COC2)cc1
InChIInChI=1S/C16H25NO3/c1-13(2)9-17-10-14-3-5-15(6-4-14)19-7-8-20-16-11-18-12-16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyHFTVVFQNWIKNRB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.23
Rot. Bonds9

About 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine

2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 102608164) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID102608164
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(OCCOC2COC2)cc1
InChIInChI=1S/C16H25NO3/c1-13(2)9-17-10-14-3-5-15(6-4-14)19-7-8-20-16-11-18-12-16/h3-6,13,16-17H,7-12H2,1-2H3
InChIKeyHFTVVFQNWIKNRB-UHFFFAOYSA-N
XLogP2.23
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 106205797
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373
2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 79360041
N-[(4-but-2-ynoxyphenyl)methyl]-2-methylpropan-1-amine
CID 55146246
3-[4-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine (CID 102608164) is 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine is CC(C)CNCc1ccc(OCCOC2COC2)cc1.
What is the InChIKey of 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is HFTVVFQNWIKNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(2)9-17-10-14-3-5-15(6-4-14)19-7-8-20-16-11-18-12-16/h3-6,13,16-17H,7-12H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[2-(oxetan-3-yloxy)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 102608164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).