2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine

C17H21NO3 — CID 63815390

IUPAC2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine
SMILESCOc1cc(OC)cc(Oc2ccc(CCN)c(C)c2)c1
InChIInChI=1S/C17H21NO3/c1-12-8-14(5-4-13(12)6-7-18)21-17-10-15(19-2)9-16(11-17)20-3/h4-5,8-11H,6-7,18H2,1-3H3
InChIKeyQGZBVCCNMZUKFU-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.31
Rot. Bonds6

About 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine

2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine (PubChem CID 63815390) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine
PubChem CID63815390
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine
SMILESCOc1cc(OC)cc(Oc2ccc(CCN)c(C)c2)c1
InChIInChI=1S/C17H21NO3/c1-12-8-14(5-4-13(12)6-7-18)21-17-10-15(19-2)9-16(11-17)20-3/h4-5,8-11H,6-7,18H2,1-3H3
InChIKeyQGZBVCCNMZUKFU-UHFFFAOYSA-N
XLogP3.31
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine
CID 82727632
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
CID 114677126
1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997847
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
1-(2-azidoethyl)-4-methoxy-2-methylbenzene
CID 151451429
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 22683857
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine (CID 63815390) is 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine is COc1cc(OC)cc(Oc2ccc(CCN)c(C)c2)c1.
What is the InChIKey of 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine?
The InChIKey is QGZBVCCNMZUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-8-14(5-4-13(12)6-7-18)21-17-10-15(19-2)9-16(11-17)20-3/h4-5,8-11H,6-7,18H2,1-3H3.
What are the key properties of 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine?
2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine is sourced from PubChem (CID 63815390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).