1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C17H27NO2 — CID 116764616

IUPAC1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-13(2)14-5-7-15(8-6-14)16(18-3)17(19-4)9-11-20-12-10-17/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyFDBNGLZWGWDBPB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.27
Rot. Bonds5

About 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 116764616) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID116764616
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-13(2)14-5-7-15(8-6-14)16(18-3)17(19-4)9-11-20-12-10-17/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyFDBNGLZWGWDBPB-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116762847
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 116764818
1-(4-chlorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765668
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116767757
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116764773
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 116764677
[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276690
1-(1-methoxycyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 104611046

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 116764616) is 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)C1(OC)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is FDBNGLZWGWDBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)14-5-7-15(8-6-14)16(18-3)17(19-4)9-11-20-12-10-17/h5-8,13,16,18H,9-12H2,1-4H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 116764616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).