N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine

C15H23NO4 — CID 63097957

IUPACN-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
SMILESCOc1cccc(OC)c1OCCNC1CCOCC1
InChIInChI=1S/C15H23NO4/c1-17-13-4-3-5-14(18-2)15(13)20-11-8-16-12-6-9-19-10-7-12/h3-5,12,16H,6-11H2,1-2H3
InChIKeyJTYGCPWVUGYMFR-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.85
Rot. Bonds7

About N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine

N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine (PubChem CID 63097957) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
PubChem CID63097957
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine
SMILESCOc1cccc(OC)c1OCCNC1CCOCC1
InChIInChI=1S/C15H23NO4/c1-17-13-4-3-5-14(18-2)15(13)20-11-8-16-12-6-9-19-10-7-12/h3-5,12,16H,6-11H2,1-2H3
InChIKeyJTYGCPWVUGYMFR-UHFFFAOYSA-N
XLogP1.85
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
CID 83051103
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]oxan-4-amine
CID 55181878
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
N-[2-(4-chloronaphthalen-1-yl)oxyethyl]oxan-4-amine
CID 63099179
N-[2-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
CID 63099181
N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
CID 63099175
N-[2-(2-bromo-4-fluorophenoxy)ethyl]oxan-4-amine
CID 63098308
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
N-[3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 122560790
N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 125438960

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine (CID 63097957) is N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine is COc1cccc(OC)c1OCCNC1CCOCC1.
What is the InChIKey of N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine?
The InChIKey is JTYGCPWVUGYMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-17-13-4-3-5-14(18-2)15(13)20-11-8-16-12-6-9-19-10-7-12/h3-5,12,16H,6-11H2,1-2H3.
What are the key properties of N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine?
N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine has a molecular weight of 281.35 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 63097957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).