N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine

C15H21NO2 — CID 82725268

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC1OCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-11-14(7-9-17-11)16-10-15-13-5-3-2-4-12(13)6-8-18-15/h2-5,11,14-16H,6-10H2,1H3
InChIKeyFVKWFEXXCNPOCU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.07
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine (PubChem CID 82725268) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine
PubChem CID82725268
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1NCC1OCCc2ccccc21
InChIInChI=1S/C15H21NO2/c1-11-14(7-9-17-11)16-10-15-13-5-3-2-4-12(13)6-8-18-15/h2-5,11,14-16H,6-10H2,1H3
InChIKeyFVKWFEXXCNPOCU-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115889758
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64734244
2-(chloromethyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclopentan-1-amine
CID 106365126
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpentan-3-amine
CID 65039540
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 136571493
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylethanamine
CID 14141276
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxolan-3-amine
CID 82726246
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2-dimethylcyclopentan-1-amine
CID 64909410
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937
2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)propane-1,3-diol
CID 65314114
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)prop-2-en-1-amine
CID 15232789

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine (CID 82725268) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine is CC1OCCC1NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine?
The InChIKey is FVKWFEXXCNPOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-14(7-9-17-11)16-10-15-13-5-3-2-4-12(13)6-8-18-15/h2-5,11,14-16H,6-10H2,1H3.
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine has a molecular weight of 247.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 82725268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).