2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine

C14H23NO3 — CID 54930550

IUPAC2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
SMILESCCC(C)Oc1c(OC)cc(CCN)cc1OC
InChIInChI=1S/C14H23NO3/c1-5-10(2)18-14-12(16-3)8-11(6-7-15)9-13(14)17-4/h8-10H,5-7,15H2,1-4H3
InChIKeyKBNIGQYPTGSZSI-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.38
Rot. Bonds7

About 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine

2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine (PubChem CID 54930550) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
PubChem CID54930550
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
SMILESCCC(C)Oc1c(OC)cc(CCN)cc1OC
InChIInChI=1S/C14H23NO3/c1-5-10(2)18-14-12(16-3)8-11(6-7-15)9-13(14)17-4/h8-10H,5-7,15H2,1-4H3
InChIKeyKBNIGQYPTGSZSI-UHFFFAOYSA-N
XLogP2.38
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine
CID 107739581
2-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]ethanamine;hydrochloride
CID 146049973
(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol
CID 45371618
2-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]ethanamine
CID 60906197
1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
CID 43276505
2-[3-chloro-5-methoxy-4-(2-methylpentoxy)phenyl]ethanamine
CID 55055676
2-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60906103
2-[3,5-difluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 79887834
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056484
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63055810
2-[3-bromo-4-(3-ethoxypropoxy)-5-methoxyphenyl]ethanamine
CID 65180503
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine (CID 54930550) is 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine is CCC(C)Oc1c(OC)cc(CCN)cc1OC.
What is the InChIKey of 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine?
The InChIKey is KBNIGQYPTGSZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-5-10(2)18-14-12(16-3)8-11(6-7-15)9-13(14)17-4/h8-10H,5-7,15H2,1-4H3.
What are the key properties of 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine?
2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 54930550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).