(4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine

C16H14BrClFNO — CID 104947789

IUPAC(4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine
SMILESCC1(c2ccc(Br)cc2Cl)C[C@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C16H14BrClFNO/c1-16(12-5-2-9(17)6-13(12)18)8-14(20)11-4-3-10(19)7-15(11)21-16/h2-7,14H,8,20H2,1H3/t14-,16?/m0/s1
InChIKeyDLSNEHVFSDJEAN-LBAUFKAWSA-N
MW370.65 g/mol
LogP4.94
Rot. Bonds1

About (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine

(4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 104947789) has the molecular formula C16H14BrClFNO and a molecular weight of 370.65 g/mol. Its IUPAC name is (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID104947789
Molecular FormulaC16H14BrClFNO
Molecular Weight370.65 g/mol
Exact Mass368.99
IUPAC Name(4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine
SMILESCC1(c2ccc(Br)cc2Cl)C[C@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C16H14BrClFNO/c1-16(12-5-2-9(17)6-13(12)18)8-14(20)11-4-3-10(19)7-15(11)21-16/h2-7,14H,8,20H2,1H3/t14-,16?/m0/s1
InChIKeyDLSNEHVFSDJEAN-LBAUFKAWSA-N
XLogP4.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 104951738
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216
7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710301
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104947950
7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709220
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664675
(4S)-6-bromo-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104947179
(4S)-7-bromo-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104945747
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947683

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine (CID 104947789) is (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine is CC1(c2ccc(Br)cc2Cl)C[C@H](N)c2ccc(F)cc2O1.
What is the InChIKey of (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is DLSNEHVFSDJEAN-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H14BrClFNO/c1-16(12-5-2-9(17)6-13(12)18)8-14(20)11-4-3-10(19)7-15(11)21-16/h2-7,14H,8,20H2,1H3/t14-,16?/m0/s1.
What are the key properties of (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine?
(4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 370.65 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-bromo-2-chlorophenyl)-7-fluoro-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104947789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).