(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine

C15H21NO3 — CID 104946752

IUPAC(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(C1CCOCC1)O2
InChIInChI=1S/C15H21NO3/c1-17-11-2-3-14-12(8-11)13(16)9-15(19-14)10-4-6-18-7-5-10/h2-3,8,10,13,15H,4-7,9,16H2,1H3/t13-,15?/m0/s1
InChIKeyQAWDZLHVEMUAQB-CFMCSPIPSA-N
MW263.34 g/mol
LogP2.27
Rot. Bonds2

About (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine

(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946752) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946752
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(C1CCOCC1)O2
InChIInChI=1S/C15H21NO3/c1-17-11-2-3-14-12(8-11)13(16)9-15(19-14)10-4-6-18-7-5-10/h2-3,8,10,13,15H,4-7,9,16H2,1H3/t13-,15?/m0/s1
InChIKeyQAWDZLHVEMUAQB-CFMCSPIPSA-N
XLogP2.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709987
7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708777
(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946305
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859
6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715458
(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947805
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
(4R)-2-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947122
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104946752) is (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)[C@@H](N)CC(C1CCOCC1)O2.
What is the InChIKey of (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QAWDZLHVEMUAQB-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H21NO3/c1-17-11-2-3-14-12(8-11)13(16)9-15(19-14)10-4-6-18-7-5-10/h2-3,8,10,13,15H,4-7,9,16H2,1H3/t13-,15?/m0/s1.
What are the key properties of (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 263.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).