(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H16BrNO2 — CID 104944590

IUPAC(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1ccccc1Br)C[C@@H]2N
InChIInChI=1S/C16H16BrNO2/c1-19-10-6-7-12-14(18)9-16(20-15(12)8-10)11-4-2-3-5-13(11)17/h2-8,14,16H,9,18H2,1H3/t14-,16?/m0/s1
InChIKeyFXMHWQZUQBEMSI-LBAUFKAWSA-N
MW334.21 g/mol
LogP3.98
Rot. Bonds2

About (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944590) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944590
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1ccccc1Br)C[C@@H]2N
InChIInChI=1S/C16H16BrNO2/c1-19-10-6-7-12-14(18)9-16(20-15(12)8-10)11-4-2-3-5-13(11)17/h2-8,14,16H,9,18H2,1H3/t14-,16?/m0/s1
InChIKeyFXMHWQZUQBEMSI-LBAUFKAWSA-N
XLogP3.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846101
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116
2-(3-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708873
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946930
(4R)-2-(5-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104980319
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
CID 114708803
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104944590) is (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(c1ccccc1Br)C[C@@H]2N.
What is the InChIKey of (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FXMHWQZUQBEMSI-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-19-10-6-7-12-14(18)9-16(20-15(12)8-10)11-4-2-3-5-13(11)17/h2-8,14,16H,9,18H2,1H3/t14-,16?/m0/s1.
What are the key properties of (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 334.21 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).