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

C17H19NO2 — CID 104946910

IUPAC(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(c1ccccc1C)O2
InChIInChI=1S/C17H19NO2/c1-11-5-3-4-6-13(11)17-10-15(18)14-9-12(19-2)7-8-16(14)20-17/h3-9,15,17H,10,18H2,1-2H3/t15-,17?/m0/s1
InChIKeyTUXAQHDIDOGZFG-MYJWUSKBSA-N
MW269.34 g/mol
LogP3.53
Rot. Bonds2

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

(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946910) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946910
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(c1ccccc1C)O2
InChIInChI=1S/C17H19NO2/c1-11-5-3-4-6-13(11)17-10-15(18)14-9-12(19-2)7-8-16(14)20-17/h3-9,15,17H,10,18H2,1-2H3/t15-,17?/m0/s1
InChIKeyTUXAQHDIDOGZFG-MYJWUSKBSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947077
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947544
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
(4R)-2-(2,6-difluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947106
(4R)-2-(4-fluoro-3-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946999
(4S)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404455
(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946903
(4R)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404456
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
6-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709810
2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709825
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709925

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104946910) is (4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)[C@@H](N)CC(c1ccccc1C)O2.
What is the InChIKey of (4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is TUXAQHDIDOGZFG-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-5-3-4-6-13(11)17-10-15(18)14-9-12(19-2)7-8-16(14)20-17/h3-9,15,17H,10,18H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of (4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 269.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).