1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine

C11H13F2NO — CID 165409710

IUPAC1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
SMILESCNCC1OCCc2cc(F)c(F)cc21
InChIInChI=1S/C11H13F2NO/c1-14-6-11-8-5-10(13)9(12)4-7(8)2-3-15-11/h4-5,11,14H,2-3,6H2,1H3
InChIKeyDYCJZLNBFWULEY-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.80
Rot. Bonds2

About 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine

1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine (PubChem CID 165409710) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
PubChem CID165409710
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine
SMILESCNCC1OCCc2cc(F)c(F)cc21
InChIInChI=1S/C11H13F2NO/c1-14-6-11-8-5-10(13)9(12)4-7(8)2-3-15-11/h4-5,11,14H,2-3,6H2,1H3
InChIKeyDYCJZLNBFWULEY-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-7-fluoro-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-N-methylmethanamine
CID 165409737
1-[(1R)-5,6-difluoro-3,4-dihydro-1H-isochromen-1-yl]-N-methylmethanamine
CID 165409686
ethane;1-(2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylmethanamine
CID 142603306
N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460411
N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460330
N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460827
ethane;N-methyl-1-[2-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 142603267
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208216
1-(8-fluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine;pentanedioic acid
CID 155101041
N-methyl-1-[(9S)-3,6,7,9-tetrahydro-1H-furo[3,4-h]isochromen-9-yl]methanamine;N-methyl-1-[(9R)-3,6,7,9-tetrahydro-1H-furo[3,4-h]isochromen-9-yl]methanamine
CID 167608910
N-methyl-1-[5-(1,2-oxazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460481
7-chloro-1-ethyl-3,4-dihydro-1H-isochromene
CID 139354460

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine (CID 165409710) is 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine is CNCC1OCCc2cc(F)c(F)cc21.
What is the InChIKey of 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine?
The InChIKey is DYCJZLNBFWULEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-14-6-11-8-5-10(13)9(12)4-7(8)2-3-15-11/h4-5,11,14H,2-3,6H2,1H3.
What are the key properties of 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine?
1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine has a molecular weight of 213.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoro-3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 165409710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).