3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol

C11H15NO2 — CID 115019414

IUPAC3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol
SMILESCC1c2cccc(O)c2OCC1CN
InChIInChI=1S/C11H15NO2/c1-7-8(5-12)6-14-11-9(7)3-2-4-10(11)13/h2-4,7-8,13H,5-6,12H2,1H3
InChIKeyRZERHGOTLYMKKD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.46
Rot. Bonds1

About 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol

3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol (PubChem CID 115019414) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol
PubChem CID115019414
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol
SMILESCC1c2cccc(O)c2OCC1CN
InChIInChI=1S/C11H15NO2/c1-7-8(5-12)6-14-11-9(7)3-2-4-10(11)13/h2-4,7-8,13H,5-6,12H2,1H3
InChIKeyRZERHGOTLYMKKD-UHFFFAOYSA-N
XLogP1.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-2,3-dihydro-1-benzofuran-7-ol
CID 112546911
methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 91828033
4-(aminomethyl)-2,2-dimethyl-3,4-dihydrochromen-8-ol
CID 84675315
(4aR,10bS)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 18611368
(4aR,10bR)-4-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-7-ol
CID 14151659
3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
CID 55292297
(4aS,10bR)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-b]pyridin-7-ol
CID 14151587
7-(aminomethyl)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115057280
3-tert-butyl-7-methyl-2,3-dihydro-1-benzofuran
CID 134427945
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 130738460
4-(ethylaminomethyl)-3,4-dihydro-2H-chromen-8-ol
CID 105460510
(3R)-7-hydroxy-3-methyl-3H-1-benzofuran-2-one
CID 124584192

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol?
The IUPAC name of 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol (CID 115019414) is 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol?
The canonical SMILES for 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol is CC1c2cccc(O)c2OCC1CN.
What is the InChIKey of 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol?
The InChIKey is RZERHGOTLYMKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-8(5-12)6-14-11-9(7)3-2-4-10(11)13/h2-4,7-8,13H,5-6,12H2,1H3.
What are the key properties of 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol?
3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol has a molecular weight of 193.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methyl-3,4-dihydro-2H-chromen-8-ol is sourced from PubChem (CID 115019414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).