(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

C14H19NO2 — CID 104946305

IUPAC(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(C1CCOC1)O2
InChIInChI=1S/C14H19NO2/c1-9-2-3-13-11(6-9)12(15)7-14(17-13)10-4-5-16-8-10/h2-3,6,10,12,14H,4-5,7-8,15H2,1H3/t10?,12-,14?/m0/s1
InChIKeyIEHPMEDSGFBKFJ-KHJSKFAYSA-N
MW233.31 g/mol
LogP2.18
Rot. Bonds1

About (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine

(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946305) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946305
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(C1CCOC1)O2
InChIInChI=1S/C14H19NO2/c1-9-2-3-13-11(6-9)12(15)7-14(17-13)10-4-5-16-8-10/h2-3,6,10,12,14H,4-5,7-8,15H2,1H3/t10?,12-,14?/m0/s1
InChIKeyIEHPMEDSGFBKFJ-KHJSKFAYSA-N
XLogP2.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715178
(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107134004
6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709586
6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709987
6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709605
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752
N,6-dimethyl-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114712477
(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103278037
6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715586
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104946305) is (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)[C@@H](N)CC(C1CCOC1)O2.
What is the InChIKey of (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IEHPMEDSGFBKFJ-KHJSKFAYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-2-3-13-11(6-9)12(15)7-14(17-13)10-4-5-16-8-10/h2-3,6,10,12,14H,4-5,7-8,15H2,1H3/t10?,12-,14?/m0/s1.
What are the key properties of (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).