6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H14Cl2FNO — CID 114711272

IUPAC6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Cl)c(F)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H14Cl2FNO/c1-20-14-8-16(9-2-4-12(18)13(19)6-9)21-15-5-3-10(17)7-11(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeyOFGFLZRRTXAJRS-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.92
Rot. Bonds2

About 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711272) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711272
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Cl)c(F)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H14Cl2FNO/c1-20-14-8-16(9-2-4-12(18)13(19)6-9)21-15-5-3-10(17)7-11(14)15/h2-7,14,16,20H,8H2,1H3
InChIKeyOFGFLZRRTXAJRS-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712639
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712078
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
6-fluoro-2-(3-fluoro-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710423
2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 114710478
6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493
6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711145
6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711207
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681
(4S)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950609
(4R)-2-(4-chloro-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950383

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114711272) is 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(Cl)c(F)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OFGFLZRRTXAJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-20-14-8-16(9-2-4-12(18)13(19)6-9)21-15-5-3-10(17)7-11(14)15/h2-7,14,16,20H,8H2,1H3.
What are the key properties of 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 326.20 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).