[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine

C10H12ClNO — CID 134208091

IUPAC[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESNC[C@H]1OCCc2cccc(Cl)c21
InChIInChI=1S/C10H12ClNO/c11-8-3-1-2-7-4-5-13-9(6-12)10(7)8/h1-3,9H,4-6,12H2/t9-/m1/s1
InChIKeyRCTUTVAYFCKNEN-SECBINFHSA-N
MW197.66 g/mol
LogP1.91
Rot. Bonds1

About [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine

[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 134208091) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID134208091
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESNC[C@H]1OCCc2cccc(Cl)c21
InChIInChI=1S/C10H12ClNO/c11-8-3-1-2-7-4-5-13-9(6-12)10(7)8/h1-3,9H,4-6,12H2/t9-/m1/s1
InChIKeyRCTUTVAYFCKNEN-SECBINFHSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82394731
(1R)-1-ethyl-8-fluoro-3,4-dihydro-1H-isochromene
CID 134211158
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208216
[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137476884
(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 130978437
2-bromo-3-chloro-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)aniline
CID 103479154
(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 82398520
8-chloro-3,4-dihydro-1H-isochromene
CID 90917909
(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol
CID 134294877
2-chloro-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 2881036
(1S)-1-(2-chlorophenyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine
CID 81374878
3-chloro-2-(3,4-dihydro-1H-isochromen-1-ylmethoxy)benzaldehyde
CID 115955703

Frequently Asked Questions

What is the IUPAC name of [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 134208091) is [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine is NC[C@H]1OCCc2cccc(Cl)c21.
What is the InChIKey of [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is RCTUTVAYFCKNEN-SECBINFHSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-3-1-2-7-4-5-13-9(6-12)10(7)8/h1-3,9H,4-6,12H2/t9-/m1/s1.
What are the key properties of [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine?
[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine has a molecular weight of 197.66 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 134208091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).