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

C17H18BrNO — CID 104945625

IUPAC(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccccc1C1C[C@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C17H18BrNO/c1-2-11-5-3-4-6-13(11)17-10-15(19)14-8-7-12(18)9-16(14)20-17/h3-9,15,17H,2,10,19H2,1H3/t15-,17?/m0/s1
InChIKeyYWTIWBYHCZNLIP-MYJWUSKBSA-N
MW332.24 g/mol
LogP4.54
Rot. Bonds2

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

(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945625) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945625
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccccc1C1C[C@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C17H18BrNO/c1-2-11-5-3-4-6-13(11)17-10-15(19)14-8-7-12(18)9-16(14)20-17/h3-9,15,17H,2,10,19H2,1H3/t15-,17?/m0/s1
InChIKeyYWTIWBYHCZNLIP-MYJWUSKBSA-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-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4R)-6-bromo-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947376
2-(1-benzothiophen-3-yl)-7-bromo-3,4-dihydro-2H-chromen-4-amine
CID 114709182
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947544
(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947405
7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709140
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4S)-7-bromo-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945654
7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709213

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945625) is (4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine is CCc1ccccc1C1C[C@H](N)c2ccc(Br)cc2O1.
What is the InChIKey of (4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YWTIWBYHCZNLIP-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-2-11-5-3-4-6-13(11)17-10-15(19)14-8-7-12(18)9-16(14)20-17/h3-9,15,17H,2,10,19H2,1H3/t15-,17?/m0/s1.
What are the key properties of (4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-7-bromo-2-(2-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 (4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).