1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine

C16H27NO3 — CID 115942171

IUPAC1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OCCOC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-6-18-15-11-13(12-17-5)7-8-14(15)19-9-10-20-16(2,3)4/h7-8,11,17H,6,9-10,12H2,1-5H3
InChIKeyRPVZDRGMMMYVHY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.00
Rot. Bonds8

About 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine

1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine (PubChem CID 115942171) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
PubChem CID115942171
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1OCCOC(C)(C)C
InChIInChI=1S/C16H27NO3/c1-6-18-15-11-13(12-17-5)7-8-14(15)19-9-10-20-16(2,3)4/h7-8,11,17H,6,9-10,12H2,1-5H3
InChIKeyRPVZDRGMMMYVHY-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.00
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

4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361669
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine
CID 93007101
N-[[3-bromo-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 112588180
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
N-[(3,4-diethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 4722949
2-[2-ethoxy-4-[(2-methylbutan-2-ylamino)methyl]phenoxy]ethanol
CID 29228499
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882964

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine (CID 115942171) is 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine is CCOc1cc(CNC)ccc1OCCOC(C)(C)C.
What is the InChIKey of 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is RPVZDRGMMMYVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-18-15-11-13(12-17-5)7-8-14(15)19-9-10-20-16(2,3)4/h7-8,11,17H,6,9-10,12H2,1-5H3.
What are the key properties of 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine?
1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 115942171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).