1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine

C15H25NO3 — CID 116715145

IUPAC1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine
SMILESCCOc1ccc(C(N)C(CC)OC)cc1OCC
InChIInChI=1S/C15H25NO3/c1-5-12(17-4)15(16)11-8-9-13(18-6-2)14(10-11)19-7-3/h8-10,12,15H,5-7,16H2,1-4H3
InChIKeyXLJGOKGQCBFRLC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.91
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine

1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine (PubChem CID 116715145) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine
PubChem CID116715145
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine
SMILESCCOc1ccc(C(N)C(CC)OC)cc1OCC
InChIInChI=1S/C15H25NO3/c1-5-12(17-4)15(16)11-8-9-13(18-6-2)14(10-11)19-7-3/h8-10,12,15H,5-7,16H2,1-4H3
InChIKeyXLJGOKGQCBFRLC-UHFFFAOYSA-N
XLogP2.91
TPSA53.71 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844
1-(3,4-dichlorophenyl)-2-methoxybutan-1-amine
CID 116715205
2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116715210
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-amine
CID 83154180
1-(3,4-diethoxyphenyl)prop-2-en-1-amine
CID 105000806
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
2-methoxy-1-phenylbutan-1-amine
CID 43211581
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine (CID 116715145) is 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine is CCOc1ccc(C(N)C(CC)OC)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine?
The InChIKey is XLJGOKGQCBFRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-12(17-4)15(16)11-8-9-13(18-6-2)14(10-11)19-7-3/h8-10,12,15H,5-7,16H2,1-4H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine?
1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine is sourced from PubChem (CID 116715145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).