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

C18H23NO2 — CID 102939424

IUPACN-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCOCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-2-12-19-13-17-10-6-7-11-18(17)21-15-20-14-16-8-4-3-5-9-16/h3-11,19H,2,12-15H2,1H3
InChIKeyXSWAJUUOXSCQMY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.74
Rot. Bonds9

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

N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine (PubChem CID 102939424) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine
PubChem CID102939424
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCOCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-2-12-19-13-17-10-6-7-11-18(17)21-15-20-14-16-8-4-3-5-9-16/h3-11,19H,2,12-15H2,1H3
InChIKeyXSWAJUUOXSCQMY-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
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-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
CID 102939430
N-[[2-[(2-ethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496111
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214025
1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
1-phenyl-2-[2-(propylaminomethyl)phenoxy]ethanol
CID 60881782

Frequently Asked Questions

What is the IUPAC name of N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine (CID 102939424) is N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCOCc1ccccc1.
What is the InChIKey of N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is XSWAJUUOXSCQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-12-19-13-17-10-6-7-11-18(17)21-15-20-14-16-8-4-3-5-9-16/h3-11,19H,2,12-15H2,1H3.
What are the key properties of N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine?
N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(phenylmethoxymethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 102939424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).