1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine

C16H27NO2 — CID 103032683

IUPAC1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCCC(C)(C)OC
InChIInChI=1S/C16H27NO2/c1-6-14(17-4)13-9-7-8-10-15(13)19-12-11-16(2,3)18-5/h7-10,14,17H,6,11-12H2,1-5H3
InChIKeyGISCLAGKWNEHCR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds8

About 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine

1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine (PubChem CID 103032683) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
PubChem CID103032683
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCCC(C)(C)OC
InChIInChI=1S/C16H27NO2/c1-6-14(17-4)13-9-7-8-10-15(13)19-12-11-16(2,3)18-5/h7-10,14,17H,6,11-12H2,1-5H3
InChIKeyGISCLAGKWNEHCR-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-[2-[1-(methylamino)propyl]phenoxy]pentanenitrile
CID 65256837
1-[2-[2-(dimethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279076
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062
N-methyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492192
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54937325
2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 104660220
N-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 60883030
1,1,1-trifluoro-3-[2-[1-(methylamino)propyl]phenoxy]propan-2-ol
CID 63899388
2-[2-[1-(methylamino)propyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486404
N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 103032778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine (CID 103032683) is 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1OCCC(C)(C)OC.
What is the InChIKey of 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine?
The InChIKey is GISCLAGKWNEHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-14(17-4)13-9-7-8-10-15(13)19-12-11-16(2,3)18-5/h7-10,14,17H,6,11-12H2,1-5H3.
What are the key properties of 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine?
1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 103032683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).