(4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine

C9H10FNO — CID 59799575

IUPAC(4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine
SMILESN[C@@H]1COCc2c(F)cccc21
InChIInChI=1S/C9H10FNO/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3,9H,4-5,11H2/t9-/m1/s1
InChIKeyXRCYXCKAPZNPRD-SECBINFHSA-N
MW167.18 g/mol
LogP1.36
Rot. Bonds

About (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine

(4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 59799575) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound Name(4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine
PubChem CID59799575
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine
SMILESN[C@@H]1COCc2c(F)cccc21
InChIInChI=1S/C9H10FNO/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3,9H,4-5,11H2/t9-/m1/s1
InChIKeyXRCYXCKAPZNPRD-SECBINFHSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dihydro-1H-isochromen-1-ylmethyl)amine
CID 209070
Fenisorex
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CID 3046421
1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
(2-((Propan-2-yloxy)methyl)phenyl)methanamine
CID 18070374
((3S)-3,4-dihydro-1H-2-benzopyran-3-yl)methanamine
CID 97102720
2-(Benzyloxy)-1-phenylethan-1-amine
CID 357710
[2-(Ethoxymethyl)phenyl]methanamine
CID 16792336
3,4-dihydro-1H-2-benzopyran-4-amine hydrochloride
CID 17750402
(3,4-dihydro-1H-2-benzopyran-1-yl)methanamine hydrochloride
CID 44658136
1-(3,4-dihydro-1H-2-benzopyran-7-yl)methanamine
CID 82596474
(S)-2-(Benzyloxy)-1-phenylethan-1-amine
CID 357746

Frequently Asked Questions

What is the IUPAC name of (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine (CID 59799575) is (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine is N[C@@H]1COCc2c(F)cccc21.
What is the InChIKey of (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is XRCYXCKAPZNPRD-SECBINFHSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-3-1-2-6-7(8)4-12-5-9(6)11/h1-3,9H,4-5,11H2/t9-/m1/s1.
What are the key properties of (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine?
(4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 167.18 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-fluoro-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 59799575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).