1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C18H27NO2 — CID 65156490

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc2c(c1)CCCO2)C1C(C)OC(C)C1C
InChIInChI=1S/C18H27NO2/c1-11-12(2)21-13(3)17(11)18(19-4)15-7-8-16-14(10-15)6-5-9-20-16/h7-8,10-13,17-19H,5-6,9H2,1-4H3
InChIKeyFTDJGVICPYKUBP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.33
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65156490) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65156490
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCNC(c1ccc2c(c1)CCCO2)C1C(C)OC(C)C1C
InChIInChI=1S/C18H27NO2/c1-11-12(2)21-13(3)17(11)18(19-4)15-7-8-16-14(10-15)6-5-9-20-16/h7-8,10-13,17-19H,5-6,9H2,1-4H3
InChIKeyFTDJGVICPYKUBP-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-naphthalen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 115850959
1-(4-chlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65154809
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43482564
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 61027887
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclopropan-1-amine
CID 116961239
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156222
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958684
3,4-dihydro-2H-chromen-6-yl-(2-methylcyclopropyl)methanamine
CID 61027220
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 61032925

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65156490) is 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CNC(c1ccc2c(c1)CCCO2)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is FTDJGVICPYKUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-11-12(2)21-13(3)17(11)18(19-4)15-7-8-16-14(10-15)6-5-9-20-16/h7-8,10-13,17-19H,5-6,9H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 289.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65156490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).