N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine

C15H24N2O2 — CID 63099181

IUPACN-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
SMILESCN(C)c1cccc(OCCNC2CCOCC2)c1
InChIInChI=1S/C15H24N2O2/c1-17(2)14-4-3-5-15(12-14)19-11-8-16-13-6-9-18-10-7-13/h3-5,12-13,16H,6-11H2,1-2H3
InChIKeyPKLGAKFBTLWYII-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.90
Rot. Bonds6

About N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine

N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine (PubChem CID 63099181) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
PubChem CID63099181
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
SMILESCN(C)c1cccc(OCCNC2CCOCC2)c1
InChIInChI=1S/C15H24N2O2/c1-17(2)14-4-3-5-15(12-14)19-11-8-16-13-6-9-18-10-7-13/h3-5,12-13,16H,6-11H2,1-2H3
InChIKeyPKLGAKFBTLWYII-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.90
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-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine
CID 63099009
N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline
CID 62585348
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
CID 63099175
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
CID 63100210
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
CID 63097957
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
2-(cyclopropylamino)-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64810584
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine (CID 63099181) is N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine is CN(C)c1cccc(OCCNC2CCOCC2)c1.
What is the InChIKey of N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine?
The InChIKey is PKLGAKFBTLWYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(2)14-4-3-5-15(12-14)19-11-8-16-13-6-9-18-10-7-13/h3-5,12-13,16H,6-11H2,1-2H3.
What are the key properties of N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine?
N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine is sourced from PubChem (CID 63099181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).