(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine

C17H18BrNO — CID 104945365

IUPAC(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc(C2C[C@@H](N)c3ccc(Br)cc3O2)cc1
InChIInChI=1S/C17H18BrNO/c1-2-11-3-5-12(6-4-11)16-10-15(19)14-8-7-13(18)9-17(14)20-16/h3-9,15-16H,2,10,19H2,1H3/t15-,16?/m1/s1
InChIKeySBSDRGXHMKQQDH-AAFJCEBUSA-N
MW332.24 g/mol
LogP4.54
Rot. Bonds2

About (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945365) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945365
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc(C2C[C@@H](N)c3ccc(Br)cc3O2)cc1
InChIInChI=1S/C17H18BrNO/c1-2-11-3-5-12(6-4-11)16-10-15(19)14-8-7-13(18)9-17(14)20-16/h3-9,15-16H,2,10,19H2,1H3/t15-,16?/m1/s1
InChIKeySBSDRGXHMKQQDH-AAFJCEBUSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945465
7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709213
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945818
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945625
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
5-[(4S)-4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
CID 104945739
4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol
CID 107694178
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4S)-7-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945659

Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945365) is (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine is CCc1ccc(C2C[C@@H](N)c3ccc(Br)cc3O2)cc1.
What is the InChIKey of (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SBSDRGXHMKQQDH-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-2-11-3-5-12(6-4-11)16-10-15(19)14-8-7-13(18)9-17(14)20-16/h3-9,15-16H,2,10,19H2,1H3/t15-,16?/m1/s1.
What are the key properties of (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 332.24 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).