N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine

C18H23NO2 — CID 63069839

IUPACN-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(Oc2ccccc2CNC(C)(C)C)cc1
InChIInChI=1S/C18H23NO2/c1-18(2,3)19-13-14-7-5-6-8-17(14)21-16-11-9-15(20-4)10-12-16/h5-12,19H,13H2,1-4H3
InChIKeyIFXDUJDQFJGEAM-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.38
Rot. Bonds5

About N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63069839) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63069839
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(Oc2ccccc2CNC(C)(C)C)cc1
InChIInChI=1S/C18H23NO2/c1-18(2,3)19-13-14-7-5-6-8-17(14)21-16-11-9-15(20-4)10-12-16/h5-12,19H,13H2,1-4H3
InChIKeyIFXDUJDQFJGEAM-UHFFFAOYSA-N
XLogP4.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550509
N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
CID 114855696
N-[[2-(3,3-dimethylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63486343
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 103032778
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 102990008
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
[2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol
CID 88794834

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63069839) is N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine is COc1ccc(Oc2ccccc2CNC(C)(C)C)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is IFXDUJDQFJGEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,3)19-13-14-7-5-6-8-17(14)21-16-11-9-15(20-4)10-12-16/h5-12,19H,13H2,1-4H3.
What are the key properties of N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63069839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).