3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine

C16H27NO2 — CID 170866378

IUPAC3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCOCc1cc(CCCN(C)C)ccc1OC(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)19-16-9-8-14(7-6-10-17(3)4)11-15(16)12-18-5/h8-9,11,13H,6-7,10,12H2,1-5H3
InChIKeyOCWHYYIVZMKCHR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.11
Rot. Bonds8

About 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine

3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866378) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866378
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCOCc1cc(CCCN(C)C)ccc1OC(C)C
InChIInChI=1S/C16H27NO2/c1-13(2)19-16-9-8-14(7-6-10-17(3)4)11-15(16)12-18-5/h8-9,11,13H,6-7,10,12H2,1-5H3
InChIKeyOCWHYYIVZMKCHR-UHFFFAOYSA-N
XLogP3.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-N,N-dimethylpropan-1-amine
CID 170865479
3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
2-[2-[2-[2-(dimethylamino)ethyl]-4-nonylphenoxy]-5-nonylphenyl]-N,N-dimethylethanamine
CID 71439166
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717
[5-[3-[[3-(3-methoxy-4-propan-2-yloxyphenyl)propyl-dimethylsilyl]oxy-dimethylsilyl]propyl]-2-propan-2-yloxyphenyl]methanol
CID 140768575
3-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-N,N-dimethylpropan-1-amine
CID 170866225
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
4-(3-fluoro-4-methoxyphenyl)-N,N-dimethylbutan-1-amine
CID 155593714
3-[3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866290

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine (CID 170866378) is 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine is COCc1cc(CCCN(C)C)ccc1OC(C)C.
What is the InChIKey of 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is OCWHYYIVZMKCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)19-16-9-8-14(7-6-10-17(3)4)11-15(16)12-18-5/h8-9,11,13H,6-7,10,12H2,1-5H3.
What are the key properties of 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine?
3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).