N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine

C16H25NO2 — CID 103920471

IUPACN-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
SMILESCOc1cccc(CCNC2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-12-9-15(10-13(2)19-12)17-8-7-14-5-4-6-16(11-14)18-3/h4-6,11-13,15,17H,7-10H2,1-3H3
InChIKeyABLQDMJDGTXWAI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine

N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine (PubChem CID 103920471) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
PubChem CID103920471
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
SMILESCOc1cccc(CCNC2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-12-9-15(10-13(2)19-12)17-8-7-14-5-4-6-16(11-14)18-3/h4-6,11-13,15,17H,7-10H2,1-3H3
InChIKeyABLQDMJDGTXWAI-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
CID 107850113
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 103930663
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate
CID 107850172
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
N-[2-(3-methoxyphenyl)ethyl]-1,1-dioxothian-3-amine
CID 103913830
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209
3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 107850234

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine (CID 103920471) is N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine is COc1cccc(CCNC2CC(C)OC(C)C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine?
The InChIKey is ABLQDMJDGTXWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-9-15(10-13(2)19-12)17-8-7-14-5-4-6-16(11-14)18-3/h4-6,11-13,15,17H,7-10H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine?
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 103920471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).