2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine

C17H21NO — CID 142065588

IUPAC2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine
SMILESC1=CC=CC(C2CCc3ccccc3O2)C=C1.CN
InChIInChI=1S/C16H16O.CH5N/c1-2-4-8-13(7-3-1)16-12-11-14-9-5-6-10-15(14)17-16;1-2/h1-10,13,16H,11-12H2;2H2,1H3
InChIKeyYHJRPKHWFHFLLK-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.25
Rot. Bonds1

About 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine

2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine (PubChem CID 142065588) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine.

Molecular Properties

Compound Name2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine
PubChem CID142065588
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine
SMILESC1=CC=CC(C2CCc3ccccc3O2)C=C1.CN
InChIInChI=1S/C16H16O.CH5N/c1-2-4-8-13(7-3-1)16-12-11-14-9-5-6-10-15(14)17-16;1-2/h1-10,13,16H,11-12H2;2H2,1H3
InChIKeyYHJRPKHWFHFLLK-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
CID 102531823
2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole
CID 91333420
2-(oxetan-3-yl)-3,4-dihydro-2H-chromene
CID 175976158
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
2-(3,4-dihydro-2H-chromen-2-yl)-1-methylpiperidine
CID 22593685
(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
CID 70116238
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 54208872
(2S)-2-ethenyl-3,4-dihydro-2H-chromene
CID 57124320
1-(3,4-dihydro-2H-chromen-2-yl)-4-methylpiperazine
CID 141009186
3,4-dihydro-2H-chromen-2-ylurea
CID 91352919
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine?
The IUPAC name of 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine (CID 142065588) is 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine.
What is the SMILES notation for 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine?
The canonical SMILES for 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine is C1=CC=CC(C2CCc3ccccc3O2)C=C1.CN.
What is the InChIKey of 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine?
The InChIKey is YHJRPKHWFHFLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.CH5N/c1-2-4-8-13(7-3-1)16-12-11-14-9-5-6-10-15(14)17-16;1-2/h1-10,13,16H,11-12H2;2H2,1H3.
What are the key properties of 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine?
2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-2,4,6-trien-1-yl-3,4-dihydro-2H-chromene;methanamine is sourced from PubChem (CID 142065588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).