N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine

C17H29NO3 — CID 60925622

IUPACN-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
SMILESCCCOc1ccc(CNC(C)C)c(OCCCOC)c1
InChIInChI=1S/C17H29NO3/c1-5-9-20-16-8-7-15(13-18-14(2)3)17(12-16)21-11-6-10-19-4/h7-8,12,14,18H,5-6,9-11,13H2,1-4H3
InChIKeyIYILKDMETJWJDN-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.39
Rot. Bonds11

About N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine

N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine (PubChem CID 60925622) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
PubChem CID60925622
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
SMILESCCCOc1ccc(CNC(C)C)c(OCCCOC)c1
InChIInChI=1S/C17H29NO3/c1-5-9-20-16-8-7-15(13-18-14(2)3)17(12-16)21-11-6-10-19-4/h7-8,12,14,18H,5-6,9-11,13H2,1-4H3
InChIKeyIYILKDMETJWJDN-UHFFFAOYSA-N
XLogP3.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.39
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

N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
CID 43472455
1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
CID 60906244
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
N-[[2-(methoxymethoxy)-4-propoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65365461
N-[[4-methoxy-2-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63059379
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935872
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine (CID 60925622) is N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine is CCCOc1ccc(CNC(C)C)c(OCCCOC)c1.
What is the InChIKey of N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine?
The InChIKey is IYILKDMETJWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-9-20-16-8-7-15(13-18-14(2)3)17(12-16)21-11-6-10-19-4/h7-8,12,14,18H,5-6,9-11,13H2,1-4H3.
What are the key properties of N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine?
N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 60925622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).