N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine

C19H25NO — CID 63496111

IUPACN-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COc1ccccc1CC
InChIInChI=1S/C19H25NO/c1-3-13-20-14-17-10-5-6-11-18(17)15-21-19-12-8-7-9-16(19)4-2/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyJOAVEJLWRASOIW-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.33
Rot. Bonds8

About N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine

N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine (PubChem CID 63496111) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
PubChem CID63496111
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1COc1ccccc1CC
InChIInChI=1S/C19H25NO/c1-3-13-20-14-17-10-5-6-11-18(17)15-21-19-12-8-7-9-16(19)4-2/h5-12,20H,3-4,13-15H2,1-2H3
InChIKeyJOAVEJLWRASOIW-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(2,5-difluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63273146
N-[[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 102986344
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847805
N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 104796100
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine
CID 102939424
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314361
N-[(2-ethoxyphenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 60744247

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine (CID 63496111) is N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccccc1COc1ccccc1CC.
What is the InChIKey of N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is JOAVEJLWRASOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-13-20-14-17-10-5-6-11-18(17)15-21-19-12-8-7-9-16(19)4-2/h5-12,20H,3-4,13-15H2,1-2H3.
What are the key properties of N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine?
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63496111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).