2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine

C16H25NO4 — CID 115335774

IUPAC2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine
SMILESCOc1cc(C(C)NC2CCOC2C)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-10(17-13-6-7-21-11(13)2)12-8-14(18-3)16(20-5)15(9-12)19-4/h8-11,13,17H,6-7H2,1-5H3
InChIKeyKYWRYSIGMYUEBT-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.54
Rot. Bonds6

About 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine

2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine (PubChem CID 115335774) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine
PubChem CID115335774
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine
SMILESCOc1cc(C(C)NC2CCOC2C)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-10(17-13-6-7-21-11(13)2)12-8-14(18-3)16(20-5)15(9-12)19-4/h8-11,13,17H,6-7H2,1-5H3
InChIKeyKYWRYSIGMYUEBT-UHFFFAOYSA-N
XLogP2.54
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine
CID 63278271
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335540
N-[1-(4-iodophenyl)ethyl]-2-methyloxolan-3-amine
CID 82725741
3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine
CID 115892491
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine
CID 115335705
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine
CID 82725548
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine
CID 103777484
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43194983
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol
CID 63295210

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine (CID 115335774) is 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine is COc1cc(C(C)NC2CCOC2C)cc(OC)c1OC.
What is the InChIKey of 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine?
The InChIKey is KYWRYSIGMYUEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-10(17-13-6-7-21-11(13)2)12-8-14(18-3)16(20-5)15(9-12)19-4/h8-11,13,17H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine?
2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine has a molecular weight of 295.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 115335774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).