2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

C17H18BrNO — CID 114712293

IUPAC2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccc(Br)c2)Oc2ccccc21
InChIInChI=1S/C17H18BrNO/c1-2-19-15-11-17(12-6-5-7-13(18)10-12)20-16-9-4-3-8-14(15)16/h3-10,15,17,19H,2,11H2,1H3
InChIKeyPWIQYNYBBDIJAY-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.62
Rot. Bonds3

About 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712293) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712293
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cccc(Br)c2)Oc2ccccc21
InChIInChI=1S/C17H18BrNO/c1-2-19-15-11-17(12-6-5-7-13(18)10-12)20-16-9-4-3-8-14(15)16/h3-10,15,17,19H,2,11H2,1H3
InChIKeyPWIQYNYBBDIJAY-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.62
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
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
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713385
N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712236
2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712172
2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712260
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712166

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 114712293) is 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2cccc(Br)c2)Oc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PWIQYNYBBDIJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-2-19-15-11-17(12-6-5-7-13(18)10-12)20-16-9-4-3-8-14(15)16/h3-10,15,17,19H,2,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 332.24 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).