2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

C17H17BrClNO — CID 114712476

IUPAC2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Cl)ccc2Br)Oc2ccc(C)cc21
InChIInChI=1S/C17H17BrClNO/c1-10-3-6-16-13(7-10)15(20-2)9-17(21-16)12-8-11(19)4-5-14(12)18/h3-8,15,17,20H,9H2,1-2H3
InChIKeyDPPUVGVPNARXTH-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.20
Rot. Bonds2

About 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine

2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712476) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712476
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cc(Cl)ccc2Br)Oc2ccc(C)cc21
InChIInChI=1S/C17H17BrClNO/c1-10-3-6-16-13(7-10)15(20-2)9-17(21-16)12-8-11(19)4-5-14(12)18/h3-8,15,17,20H,9H2,1-2H3
InChIKeyDPPUVGVPNARXTH-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712518
2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711217
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712027
2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711207
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712565
2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 102846139
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711117
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
2-(4-chloro-3-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712639

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine (CID 114712476) is 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cc(Cl)ccc2Br)Oc2ccc(C)cc21.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DPPUVGVPNARXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-10-3-6-16-13(7-10)15(20-2)9-17(21-16)12-8-11(19)4-5-14(12)18/h3-8,15,17,20H,9H2,1-2H3.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine?
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 366.69 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).