(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine

C11H15NO2 — CID 130658442

IUPAC(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc2c(cc1C)[C@@H](N)CCO2
InChIInChI=1S/C11H15NO2/c1-7-5-8-9(12)3-4-14-11(8)6-10(7)13-2/h5-6,9H,3-4,12H2,1-2H3/t9-/m0/s1
InChIKeyHFOLBJULRLSFBS-VIFPVBQESA-N
MW193.25 g/mol
LogP1.79
Rot. Bonds1

About (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine

(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130658442) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID130658442
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cc2c(cc1C)[C@@H](N)CCO2
InChIInChI=1S/C11H15NO2/c1-7-5-8-9(12)3-4-14-11(8)6-10(7)13-2/h5-6,9H,3-4,12H2,1-2H3/t9-/m0/s1
InChIKeyHFOLBJULRLSFBS-VIFPVBQESA-N
XLogP1.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55273084
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252301
7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43155060
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234
(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252356
3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55292013
(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine
CID 130673761
(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol
CID 131107943
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
7-cyclopentyloxy-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 59564135

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 130658442) is (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine is COc1cc2c(cc1C)[C@@H](N)CCO2.
What is the InChIKey of (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HFOLBJULRLSFBS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-8-9(12)3-4-14-11(8)6-10(7)13-2/h5-6,9H,3-4,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 193.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130658442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).