N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine

C19H25NO2 — CID 54848728

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1cccc(OCCOC)c1)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-19(17-9-5-4-6-10-17)20-15-16-8-7-11-18(14-16)22-13-12-21-2/h4-11,14,19-20H,3,12-13,15H2,1-2H3
InChIKeyPYHIZEJLVBCERJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.95
Rot. Bonds9

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine

N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine (PubChem CID 54848728) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
PubChem CID54848728
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine
SMILESCCC(NCc1cccc(OCCOC)c1)c1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-19(17-9-5-4-6-10-17)20-15-16-8-7-11-18(14-16)22-13-12-21-2/h4-11,14,19-20H,3,12-13,15H2,1-2H3
InChIKeyPYHIZEJLVBCERJ-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
N-[3-(2-phenoxyethoxy)phenyl]-2-(1-phenylpropylamino)acetamide
CID 54845800
4-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 66611858
1-(3,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 60872413
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine (CID 54848728) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine is CCC(NCc1cccc(OCCOC)c1)c1ccccc1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine?
The InChIKey is PYHIZEJLVBCERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-19(17-9-5-4-6-10-17)20-15-16-8-7-11-18(14-16)22-13-12-21-2/h4-11,14,19-20H,3,12-13,15H2,1-2H3.
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 54848728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).