1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine

C18H23NO2 — CID 63803633

IUPAC1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccccc2OC)c(C)c1
InChIInChI=1S/C18H23NO2/c1-4-15(19)12-14-9-10-16(13(2)11-14)21-18-8-6-5-7-17(18)20-3/h5-11,15H,4,12,19H2,1-3H3
InChIKeyXMXHEHFEVPUPIW-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.08
Rot. Bonds6

About 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine

1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine (PubChem CID 63803633) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
PubChem CID63803633
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccccc2OC)c(C)c1
InChIInChI=1S/C18H23NO2/c1-4-15(19)12-14-9-10-16(13(2)11-14)21-18-8-6-5-7-17(18)20-3/h5-11,15H,4,12,19H2,1-3H3
InChIKeyXMXHEHFEVPUPIW-UHFFFAOYSA-N
XLogP4.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-iodophenoxy)-3-methylphenyl]butan-2-amine
CID 63803492
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
1-[4-(2,4-difluorophenoxy)-3-methylphenyl]butan-2-amine
CID 63817149
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[4-(5-bromo-2-fluorophenoxy)-3-methylphenyl]butan-2-amine
CID 114677110
1-[4-methyl-3-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 105411210
(2R)-1-[4-methoxy-3-(2-phenylethoxy)phenyl]butan-2-amine
CID 100949044
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
CID 170888861
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine
CID 81160068

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine (CID 63803633) is 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccccc2OC)c(C)c1.
What is the InChIKey of 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine?
The InChIKey is XMXHEHFEVPUPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-15(19)12-14-9-10-16(13(2)11-14)21-18-8-6-5-7-17(18)20-3/h5-11,15H,4,12,19H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine?
1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenoxy)-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 63803633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).