4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine

C16H27NO2 — CID 105144752

IUPAC4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCNC(CC(C)COC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)19-15-8-6-14(7-9-15)16(17-4)10-13(3)11-18-5/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyICHFJDFJKOBRKG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds8

About 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine

4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 105144752) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
PubChem CID105144752
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCNC(CC(C)COC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(2)19-15-8-6-14(7-9-15)16(17-4)10-13(3)11-18-5/h6-9,12-13,16-17H,10-11H2,1-5H3
InChIKeyICHFJDFJKOBRKG-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63685624
1-(4-methoxyphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949687
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
methyl 4-(methylamino)-4-(4-propan-2-yloxyphenyl)butanoate
CID 116955534
1-(3-chloro-4-methylphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 107562065
4-methoxy-N,3-dimethyl-1-pyrimidin-5-ylbutan-1-amine
CID 105119199
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
[3-methoxy-1-(4-propan-2-yloxyphenyl)butyl]hydrazine
CID 105267222
2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546700
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63981433

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine (CID 105144752) is 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine is CNC(CC(C)COC)c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is ICHFJDFJKOBRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)19-15-8-6-14(7-9-15)16(17-4)10-13(3)11-18-5/h6-9,12-13,16-17H,10-11H2,1-5H3.
What are the key properties of 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine?
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 105144752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).