1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine

C16H27NO3 — CID 105168340

IUPAC1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H27NO3/c1-6-17-16(7-12(2)11-18-3)13-8-14(19-4)10-15(9-13)20-5/h8-10,12,16-17H,6-7,11H2,1-5H3
InChIKeyBBMAUCDGXQMRQZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.03
Rot. Bonds9

About 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine

1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine (PubChem CID 105168340) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
PubChem CID105168340
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H27NO3/c1-6-17-16(7-12(2)11-18-3)13-8-14(19-4)10-15(9-13)20-5/h8-10,12,16-17H,6-7,11H2,1-5H3
InChIKeyBBMAUCDGXQMRQZ-UHFFFAOYSA-N
XLogP3.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928516
1-(4-chloro-3-methoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105164508
1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
CID 104986857
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
1-(3,5-dimethylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105096998
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105143343
ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
CID 65233825
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105180141
N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 79569405
N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
CID 105094581
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105397468
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine (CID 105168340) is 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine is CCNC(CC(C)COC)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
The InChIKey is BBMAUCDGXQMRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-17-16(7-12(2)11-18-3)13-8-14(19-4)10-15(9-13)20-5/h8-10,12,16-17H,6-7,11H2,1-5H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine?
1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 105168340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).