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

C17H17BrClNO — CID 114713398

IUPAC6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(Cl)cc2)Oc2ccc(Br)cc21
InChIInChI=1S/C17H17BrClNO/c1-2-20-15-10-17(11-3-6-13(19)7-4-11)21-16-8-5-12(18)9-14(15)16/h3-9,15,17,20H,2,10H2,1H3
InChIKeyMMTKZXJTHWULBM-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.28
Rot. Bonds3

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

6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713398) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713398
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(Cl)cc2)Oc2ccc(Br)cc21
InChIInChI=1S/C17H17BrClNO/c1-2-20-15-10-17(11-3-6-13(19)7-4-11)21-16-8-5-12(18)9-14(15)16/h3-9,15,17,20H,2,10H2,1H3
InChIKeyMMTKZXJTHWULBM-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

Analyze 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713385
7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711830
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
6-bromo-2-(5-bromo-2-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713410
6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713337
6-bromo-2-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713455
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713390
6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713393
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
6-chloro-N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711302

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 114713398) is 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2ccc(Cl)cc2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MMTKZXJTHWULBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-2-20-15-10-17(11-3-6-13(19)7-4-11)21-16-8-5-12(18)9-14(15)16/h3-9,15,17,20H,2,10H2,1H3.
What are the key properties of 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-2-(4-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 6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).