7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

C17H17BrClNO — CID 114711830

IUPAC7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccc(Cl)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C17H17BrClNO/c1-2-20-15-10-16(11-4-3-5-13(19)8-11)21-17-9-12(18)6-7-14(15)17/h3-9,15-16,20H,2,10H2,1H3
InChIKeyZEFQYQAYKNPGMS-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.28
Rot. Bonds3

About 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711830) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711830
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccc(Cl)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C17H17BrClNO/c1-2-20-15-10-16(11-4-3-5-13(19)8-11)21-17-9-12(18)6-7-14(15)17/h3-9,15-16,20H,2,10H2,1H3
InChIKeyZEFQYQAYKNPGMS-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711788
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
7-bromo-N-propyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711885
6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713385
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712236
6-bromo-2-(5-bromo-2-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713410
7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714730

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 114711830) is 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2cccc(Cl)c2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZEFQYQAYKNPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-2-20-15-10-16(11-4-3-5-13(19)8-11)21-17-9-12(18)6-7-14(15)17/h3-9,15-16,20H,2,10H2,1H3.
What are the key properties of 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 366.69 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).