N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine

C16H25NO2 — CID 79365715

IUPACN-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)19-15-8-6-13(7-9-15)16-14(11-17-3)5-4-10-18-16/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3
InChIKeyFJYKDKWTEJKOSS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds5

About N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine

N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine (PubChem CID 79365715) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine
PubChem CID79365715
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine
SMILESCNCC1CCCOC1c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)19-15-8-6-13(7-9-15)16-14(11-17-3)5-4-10-18-16/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3
InChIKeyFJYKDKWTEJKOSS-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79370721
N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine
CID 104824119
1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
CID 79365083
N-[[2-(4-propan-2-ylphenyl)oxan-3-yl]methyl]cyclopropanamine
CID 79365200
N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine
CID 79367575
N-[[2-(4-chlorophenyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364574
1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79364625
N-[[2-(4-bromo-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365469
N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368826
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144932
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
N-[[2-(4-fluoro-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365740

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine (CID 79365715) is N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine is CNCC1CCCOC1c1ccc(OC(C)C)cc1.
What is the InChIKey of N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine?
The InChIKey is FJYKDKWTEJKOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)19-15-8-6-13(7-9-15)16-14(11-17-3)5-4-10-18-16/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine?
N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine is sourced from PubChem (CID 79365715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).