N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine

C16H27NO3 — CID 63059379

IUPACN-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCCOc1cc(OC)ccc1CNCC(C)C
InChIInChI=1S/C16H27NO3/c1-13(2)11-17-12-14-6-7-15(19-4)10-16(14)20-9-5-8-18-3/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3
InChIKeyHZPXABLOBLCOBT-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.86
Rot. Bonds10

About N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63059379) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63059379
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCOCCCOc1cc(OC)ccc1CNCC(C)C
InChIInChI=1S/C16H27NO3/c1-13(2)11-17-12-14-6-7-15(19-4)10-16(14)20-9-5-8-18-3/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3
InChIKeyHZPXABLOBLCOBT-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.86
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

methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65365461
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63056496
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
N-[[4-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63058853
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 61268710
5-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63058679
2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
1-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propan-2-ol
CID 55146071
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
N-[[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63061000
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63059379) is N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine is COCCCOc1cc(OC)ccc1CNCC(C)C.
What is the InChIKey of N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is HZPXABLOBLCOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)11-17-12-14-6-7-15(19-4)10-16(14)20-9-5-8-18-3/h6-7,10,13,17H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63059379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).