N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine

C16H25NO4 — CID 63359921

IUPACN-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
SMILESCOc1cc(C(C)NC2CCCOC2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-11(17-13-6-5-7-21-10-13)12-8-14(18-2)16(20-4)15(9-12)19-3/h8-9,11,13,17H,5-7,10H2,1-4H3
InChIKeyHVFKIQDURMJSON-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.54
Rot. Bonds6

About N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine

N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine (PubChem CID 63359921) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
PubChem CID63359921
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
SMILESCOc1cc(C(C)NC2CCCOC2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-11(17-13-6-5-7-21-10-13)12-8-14(18-2)16(20-4)15(9-12)19-3/h8-9,11,13,17H,5-7,10H2,1-4H3
InChIKeyHVFKIQDURMJSON-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

N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
N-[(1R)-1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 81397556
N-[1-(2-methoxyphenyl)ethyl]oxan-3-amine
CID 63360273
oxan-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 107139267
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine
CID 115892491
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine
CID 103777484
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxolan-3-amine
CID 115335774
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
CID 63360332
2-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclopentan-1-amine
CID 63278271
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine?
The IUPAC name of N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine (CID 63359921) is N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine?
The canonical SMILES for N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine is COc1cc(C(C)NC2CCCOC2)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine?
The InChIKey is HVFKIQDURMJSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-11(17-13-6-5-7-21-10-13)12-8-14(18-2)16(20-4)15(9-12)19-3/h8-9,11,13,17H,5-7,10H2,1-4H3.
What are the key properties of N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine?
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-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 N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine is sourced from PubChem (CID 63359921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).