4-(3,4,5-trimethoxyphenyl)oxan-4-amine

C14H21NO4 — CID 82304818

IUPAC4-(3,4,5-trimethoxyphenyl)oxan-4-amine
SMILESCOc1cc(C2(N)CCOCC2)cc(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(15)4-6-19-7-5-14/h8-9H,4-7,15H2,1-3H3
InChIKeyQQHMJJWTQCSLMJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.68
Rot. Bonds4

About 4-(3,4,5-trimethoxyphenyl)oxan-4-amine

4-(3,4,5-trimethoxyphenyl)oxan-4-amine (PubChem CID 82304818) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenyl)oxan-4-amine
PubChem CID82304818
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-(3,4,5-trimethoxyphenyl)oxan-4-amine
SMILESCOc1cc(C2(N)CCOCC2)cc(OC)c1OC
InChIInChI=1S/C14H21NO4/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(15)4-6-19-7-5-14/h8-9H,4-7,15H2,1-3H3
InChIKeyQQHMJJWTQCSLMJ-UHFFFAOYSA-N
XLogP1.68
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3-methoxyphenyl)oxan-4-amine
CID 79700577
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
4-(3,5-dimethylphenyl)oxan-4-amine
CID 23090035
2-(3-methoxy-4-methylphenyl)-7-oxaspiro[3.5]nonan-2-amine
CID 65006110
5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
CID 117416999
1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
CID 84782091
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
CID 84815906
1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine
CID 84801514

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenyl)oxan-4-amine?
The IUPAC name of 4-(3,4,5-trimethoxyphenyl)oxan-4-amine (CID 82304818) is 4-(3,4,5-trimethoxyphenyl)oxan-4-amine.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenyl)oxan-4-amine?
The canonical SMILES for 4-(3,4,5-trimethoxyphenyl)oxan-4-amine is COc1cc(C2(N)CCOCC2)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenyl)oxan-4-amine?
The InChIKey is QQHMJJWTQCSLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-16-11-8-10(9-12(17-2)13(11)18-3)14(15)4-6-19-7-5-14/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 4-(3,4,5-trimethoxyphenyl)oxan-4-amine?
4-(3,4,5-trimethoxyphenyl)oxan-4-amine has a molecular weight of 267.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenyl)oxan-4-amine is sourced from PubChem (CID 82304818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).