(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine

C13H13NOS — CID 104946079

IUPAC(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H13NOS/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-7,10,12H,8,14H2/t10-,12?/m1/s1
InChIKeyCNNDRBADMFVQLI-RWANSRKNSA-N
MW231.32 g/mol
LogP3.27
Rot. Bonds1

About (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine

(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946079) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946079
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H13NOS/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-7,10,12H,8,14H2/t10-,12?/m1/s1
InChIKeyCNNDRBADMFVQLI-RWANSRKNSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709140
(2S,4S)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 92935771
6-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709810
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712166
(4R)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946162
2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441
(4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945921
(4S)-2-(2-tert-butyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946037
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709531
(2R,4R)-2-chloro-3,4-dihydro-2H-chromen-4-amine
CID 141093967
(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946067

Frequently Asked Questions

What is the IUPAC name of (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 104946079) is (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2cccs2)Oc2ccccc21.
What is the InChIKey of (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CNNDRBADMFVQLI-RWANSRKNSA-N. The full InChI is InChI=1S/C13H13NOS/c14-10-8-12(13-6-3-7-16-13)15-11-5-2-1-4-9(10)11/h1-7,10,12H,8,14H2/t10-,12?/m1/s1.
What are the key properties of (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 231.32 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).