N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine

C16H27NO2 — CID 112610179

IUPACN-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCOCC(C)Oc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-8-7-9-14(10-17-16(3,4)5)15(12)19-13(2)11-18-6/h7-9,13,17H,10-11H2,1-6H3
InChIKeyPUFVQEQIXGZAMV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.30
Rot. Bonds6

About N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine

N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine (PubChem CID 112610179) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
PubChem CID112610179
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
SMILESCOCC(C)Oc1c(C)cccc1CNC(C)(C)C
InChIInChI=1S/C16H27NO2/c1-12-8-7-9-14(10-17-16(3,4)5)15(12)19-13(2)11-18-6/h7-9,13,17H,10-11H2,1-6H3
InChIKeyPUFVQEQIXGZAMV-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-butan-2-yloxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 112610168
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
2-methyl-N-[[3-methyl-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 112610190
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
5-[2-[(tert-butylamino)methyl]-6-methylphenoxy]pentanenitrile
CID 115954209
2-methyl-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471737
methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
2-(1-methoxypropan-2-yloxy)-3-methylaniline
CID 115550968
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 63059393
N-[(3-bromo-2-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891006
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine (CID 112610179) is N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine is COCC(C)Oc1c(C)cccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PUFVQEQIXGZAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-8-7-9-14(10-17-16(3,4)5)15(12)19-13(2)11-18-6/h7-9,13,17H,10-11H2,1-6H3.
What are the key properties of N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxypropan-2-yloxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 112610179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).