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

C17H17BrFNO — CID 114711759

IUPAC7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(F)cc2)Oc2cc(Br)ccc21
InChIInChI=1S/C17H17BrFNO/c1-2-20-15-10-16(11-3-6-13(19)7-4-11)21-17-9-12(18)5-8-14(15)17/h3-9,15-16,20H,2,10H2,1H3
InChIKeyIHCBZXYEFFDLEI-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.76
Rot. Bonds3

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

7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711759) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711759
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(F)cc2)Oc2cc(Br)ccc21
InChIInChI=1S/C17H17BrFNO/c1-2-20-15-10-16(11-3-6-13(19)7-4-11)21-17-9-12(18)5-8-14(15)17/h3-9,15-16,20H,2,10H2,1H3
InChIKeyIHCBZXYEFFDLEI-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711830
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711788
7-bromo-N-methyl-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711607
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
N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712242
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
2-(4-bromothiophen-2-yl)-N-ethyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710676
N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710640
N-ethyl-7-fluoro-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713884

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 114711759) is 7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2ccc(F)cc2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is IHCBZXYEFFDLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-2-20-15-10-16(11-3-6-13(19)7-4-11)21-17-9-12(18)5-8-14(15)17/h3-9,15-16,20H,2,10H2,1H3.
What are the key properties of 7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 350.23 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).