N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine

C16H25NO2 — CID 79341427

IUPACN-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCCCOc1ccc(C=C(C)CNCC)cc1OC
InChIInChI=1S/C16H25NO2/c1-5-9-19-15-8-7-14(11-16(15)18-4)10-13(3)12-17-6-2/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyNDXAQDKUHMDETR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds8

About N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine

N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine (PubChem CID 79341427) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
PubChem CID79341427
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine
SMILESCCCOc1ccc(C=C(C)CNCC)cc1OC
InChIInChI=1S/C16H25NO2/c1-5-9-19-15-8-7-14(11-16(15)18-4)10-13(3)12-17-6-2/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyNDXAQDKUHMDETR-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dibromoethenyl)-2-methoxy-1-propoxybenzene
CID 22970780
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246
3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341431
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339418
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339699
3-(3-methoxy-4-propoxyphenyl)prop-2-enal
CID 79331084
ethyl (Z)-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-enoate
CID 104503660
N-ethyl-2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]butan-1-amine
CID 79329986
1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
CID 129181829
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
(Z)-4-(4-methoxy-3-propoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103093109

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine (CID 79341427) is N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine is CCCOc1ccc(C=C(C)CNCC)cc1OC.
What is the InChIKey of N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine?
The InChIKey is NDXAQDKUHMDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-9-19-15-8-7-14(11-16(15)18-4)10-13(3)12-17-6-2/h7-8,10-11,17H,5-6,9,12H2,1-4H3.
What are the key properties of N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine?
N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxy-4-propoxyphenyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79341427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).