1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine

C15H25NO3 — CID 116715821

IUPAC1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
SMILESCCNC(c1cc(OC)ccc1OC)C(CC)OC
InChIInChI=1S/C15H25NO3/c1-6-13(18-4)15(16-7-2)12-10-11(17-3)8-9-14(12)19-5/h8-10,13,15-16H,6-7H2,1-5H3
InChIKeyYOOKMKANHBMVDN-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine

1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine (PubChem CID 116715821) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
PubChem CID116715821
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
SMILESCCNC(c1cc(OC)ccc1OC)C(CC)OC
InChIInChI=1S/C15H25NO3/c1-6-13(18-4)15(16-7-2)12-10-11(17-3)8-9-14(12)19-5/h8-10,13,15-16H,6-7H2,1-5H3
InChIKeyYOOKMKANHBMVDN-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
CID 64614286
1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 105037382
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66478019
2-(2,5-dimethoxyphenyl)-N-propylpentan-3-amine
CID 79308493
1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine
CID 79616097
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923564

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine (CID 116715821) is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine is CCNC(c1cc(OC)ccc1OC)C(CC)OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine?
The InChIKey is YOOKMKANHBMVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-13(18-4)15(16-7-2)12-10-11(17-3)8-9-14(12)19-5/h8-10,13,15-16H,6-7H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine?
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine is sourced from PubChem (CID 116715821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).