N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine

C16H27NO3 — CID 65365461

IUPACN-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCCCOc1ccc(CNCC(C)C)c(OCOC)c1
InChIInChI=1S/C16H27NO3/c1-5-8-19-15-7-6-14(11-17-10-13(2)3)16(9-15)20-12-18-4/h6-7,9,13,17H,5,8,10-12H2,1-4H3
InChIKeyQUYKPJJAELHMPD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds10

About N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine

N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 65365461) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine
PubChem CID65365461
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCCCOc1ccc(CNCC(C)C)c(OCOC)c1
InChIInChI=1S/C16H27NO3/c1-5-8-19-15-7-6-14(11-17-10-13(2)3)16(9-15)20-12-18-4/h6-7,9,13,17H,5,8,10-12H2,1-4H3
InChIKeyQUYKPJJAELHMPD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2-methylpropylamino)methyl]-5-propoxyphenoxy]propan-2-ol
CID 63063515
2-[(2-methylpropylamino)methyl]-5-propoxyphenol
CID 55147776
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
CID 60887844
N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
CID 60925622
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[(2-but-3-en-2-yloxy-4-propoxyphenyl)methyl]-2-methoxyethanamine
CID 63062478
methyl 2-[5-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63058852
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine (CID 65365461) is N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine is CCCOc1ccc(CNCC(C)C)c(OCOC)c1.
What is the InChIKey of N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QUYKPJJAELHMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-8-19-15-7-6-14(11-17-10-13(2)3)16(9-15)20-12-18-4/h6-7,9,13,17H,5,8,10-12H2,1-4H3.
What are the key properties of N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65365461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).